3565057 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 17 16 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 5 -1 9 1 1 2 2 2 2 5 6 7 7 8 8 9 10 10 10 10 11 11 11 13 13 14 14 15 15 16 17 18 18 19 16 3 4 7 14 9 9 12 26 12 13 17 11 12 20 21 13 22 23 24 25 15 16 17 27 18 19 19 28 29 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 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 2 3.732 4.732 2.732 5.4641 6.3301 3.732 5.5116 5.4641 4.7026 5.6808 4.5981 6.1808 3.732 4.5981 2.866 4.5981 2.866 3.732 4.6378 4.0826 6.2472 5.4892 6.5956 6.6823 3.1951 5.135 2.3291 3.732 -0.3512 0.6488 0.6488 0.6488 -3.3512 -1.8512 1.6488 1.742 -2.3512 3.1433 3.3512 2.1488 2.4852 -0.3512 -0.8512 -0.8512 -1.8512 -1.8512 -2.3512 3.7599 3.1433 3.6034 3.9409 2.0244 2.8496 1.9588 -0.5412 -2.1612 -2.9712 8 8 8 8 8 8 14 14 15 16 17 18 15 16 17 18 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 482 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733800440000000000000000000000000100000000300000000000000000010000001C0614400000080AC1502431C182504002A10026626770C2001120070028881830668A08202281939180200460900008C8071000000000004000200000800000800040000100000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitro-benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitrobenzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-<I>N</I>-(3,4-dihydro-2<I>H</I>-pyrrol-5-yl)-5-nitrobenzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitrobenzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloranyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-5-nitro-benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-5-nitro-N-(1-pyrrolin-2-yl)benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H10ClN3O4S/c11-8-4-3-7(14(15)16)6-9(8)19(17,18)13-10-2-1-5-12-10/h3-4,6H,1-2,5H2,(H,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PFTRWHWECUBZGP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.0080547 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H10ClN3O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.72 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(=NC1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(=NC1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.0080547 19 0 0 0 0 0 0 0 1 -1