41300834 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 16 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 6 6 6 7 8 8 9 9 9 10 10 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 25 26 27 28 28 29 30 30 30 4 5 8 21 22 27 30 7 9 13 11 46 47 10 12 31 11 32 33 14 15 16 17 18 19 20 22 34 23 35 24 36 25 37 27 38 28 39 24 25 26 26 42 40 41 43 29 29 44 45 48 49 50 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 9 6 12 10 31 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 4.6701 8.8675 3.808 3.6701 5.6701 4.6701 3.8611 4.6701 5.4791 5.1701 4.1701 6.4302 4.6701 3.5823 7.1733 6.6381 5.5361 3.8041 3.989 2.5878 4.6701 8.1244 7.5891 5.5361 3.8041 8.3323 3.4013 2 2.4067 3.2202 5.5761 5.7765 5.1053 7.0444 6.1773 6.073 3.2671 4.6056 2.3356 6.073 3.2671 7.718 8.9219 1.3834 2.0423 4.1332 5.207 3.7218 2.8558 2.7186 -4.2415 1.0665 4.7425 -4.2415 -4.2415 -0.2415 0.3463 -5.2415 0.3463 1.2974 1.2974 0.0373 -1.2415 2.1064 0.7064 -0.9409 -1.7415 -1.7415 3.0199 2.0018 -3.2415 0.3974 -1.2499 -2.7415 -2.7415 -0.5808 3.8289 2.8109 3.7244 5.5515 -0.2661 1.4263 1.914 1.3129 -1.3557 -1.4315 -1.4315 3.0847 1.4354 -3.0515 -3.0515 -1.8563 -0.7723 2.746 4.226 -5.5515 -5.5515 5.9159 6.0531 5.1871 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 12 12 13 13 14 14 15 16 17 18 19 20 21 21 22 23 27 28 12 15 16 17 18 19 20 22 23 24 25 27 28 24 25 26 26 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 718 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31004000000000000000000000000001000000003060C0000000000000015000001F04184000000C2CC1D80E32C782000402A00324624070D20C102122001888183E6C980C26A2C4B19B84302864C811C8E80790C0F00E00040100000000000008020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(3R)-3-(3-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(3R)-3-(3-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(3<I>R</I>)-3-(3-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(3R)-3-(3-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(3R)-3-(3-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(5R)-5-(3-fluorophenyl)-3-(3-methoxyphenyl)-2-pyrazolin-1-yl]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H20FN3O3S/c1-29-19-7-3-4-15(13-19)21-14-22(16-5-2-6-17(23)12-16)26(25-21)18-8-10-20(11-9-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)/t22-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AOTOBTNDKRWPLR-JOCHJYFZSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.12094084 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H20FN3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC(=CC=C3)F)C4=CC=C(C=C4)S(=O)(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NN([C@H](C2)C3=CC(=CC=C3)F)C4=CC=C(C=C4)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 93.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.12094084 30 1 1 0 0 0 0 0 1 -1