645283 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 16 16 8 8 8 8 7 7 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 1 1 2 2 2 2 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 18 19 20 20 20 21 21 21 22 22 22 3 4 7 13 5 6 8 15 9 10 18 37 11 23 24 12 25 26 12 27 28 29 30 14 16 15 31 17 19 32 19 35 20 33 34 36 21 38 39 22 40 41 42 43 44 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6.3301 4.5981 7.3301 5.3301 5.0981 4.0981 6.3301 3.732 7.1391 5.5211 6.8301 5.8301 6.3301 5.4641 5.4641 7.1962 6.3301 3.732 7.1962 2.866 2.866 2 7.4491 7.7055 4.9547 5.2111 7.4366 6.7653 5.8949 5.2237 4.9272 7.7331 3.9441 4.3426 6.3301 7.7331 3.1951 2.654 2.2554 3.0781 3.4766 1.69 1.4631 2.31 1.9806 -1.0194 1.9806 1.9806 -1.8854 -0.1534 2.9806 -1.5194 3.5684 3.5684 4.5194 4.5194 0.9806 0.4806 -0.5194 0.4806 -1.0194 -2.5194 -0.5194 -3.0194 -4.0194 -4.5194 3.0314 3.8205 3.8205 3.0314 4.6483 5.136 5.136 4.6483 0.7906 0.7906 -3.102 -2.4118 -1.6394 -0.8294 -1.2094 -2.4368 -3.1271 -4.602 -3.9118 -3.9825 -4.8294 -5.0564 8 8 8 8 8 8 13 13 14 15 16 17 14 16 15 17 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 542 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0733800600000000000000000000000000160000000300000000000000000010000001C04104000000800C150043201824000028000204200704200102000000888980800880820228091108420002090008888070000000000000000400000000000000080000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-butyl-3-pyrrolidin-1-ylsulfonyl-benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-butyl-3-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-butyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-butyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-butyl-3-pyrrolidin-1-ylsulfonyl-benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-butyl-3-pyrrolidinosulfonyl-benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H22N2O4S2/c1-2-3-9-15-21(17,18)13-7-6-8-14(12-13)22(19,20)16-10-4-5-11-16/h6-8,12,15H,2-5,9-11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PQCKEXVRJLHDRR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.10209953 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H22N2O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCNS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 100 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.10209953 22 0 0 0 0 0 0 0 1 -1