5355 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 16 8 8 8 8 7 7 7 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 1 1 1 2 3 3 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 14 15 15 15 16 17 17 18 18 19 20 21 21 22 23 23 23 4 5 8 20 16 19 23 9 12 14 13 16 35 42 43 10 13 24 11 25 26 12 27 28 29 30 31 32 15 33 34 36 37 38 17 18 19 20 39 21 22 22 40 41 44 45 46 2 2 1 1 2 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 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 9 6 10 13 24 3 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 6.3301 3.732 2.866 5.8301 6.8301 6.4347 5.4641 7.1962 6.3301 7.2437 7.9128 7.4128 5.4641 5.6915 5.8994 4.5981 4.5981 5.4641 3.732 5.4641 3.732 4.5981 2 5.8102 6.9337 7.7453 8.3277 8.4144 7.9792 7.2212 5.252 4.8535 5.1167 5.363 6.001 6.5059 6.0283 5.293 6.001 3.1951 4.5981 7.1962 7.7331 1.69 1.4631 2.31 -3.2609 0.2391 -1.2609 -4.1269 -2.3949 2.7336 0.2391 -3.7609 1.7391 1.3324 2.0755 2.9415 1.2391 3.4028 4.3809 -0.2609 -1.2609 -1.7609 -1.7609 -2.7609 -2.7609 -3.2609 -1.7609 2.0768 0.7954 0.9679 1.6148 2.4399 3.1937 3.5312 1.8217 1.1314 3.635 2.877 -0.0709 4.252 4.9874 4.5098 -1.4509 -3.0709 -3.8809 -4.3809 -3.4509 -1.224 -2.0709 -2.2978 3 8 8 8 8 8 8 9 17 17 18 19 20 21 13 18 19 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 505 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733800400000000000000000000000000160000000300000000000000000010000001E04104000000C2CC1D806320783C00402880221521070C208102420000888990E0CC80C663684B51B94316866F61188A98798C8208E00800080000800000100010000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BGRJTUBHPOOWDU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.14092740 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H23N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 110 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.14092740 23 1 0 1 0 0 0 0 1 -1