8603445 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 17 16 16 8 8 8 8 7 7 7 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 2 2 2 2 3 3 3 3 8 8 9 9 10 10 11 11 11 11 12 12 12 14 14 15 15 16 16 17 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 22 4 5 8 15 6 7 10 21 13 33 13 14 16 36 12 13 27 28 14 29 30 31 32 17 18 17 19 34 20 35 20 37 38 22 23 24 25 39 26 40 26 41 42 1 2 2 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 2 1 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 30 31 32 33 34 35 36 37 38 39 40 41 42 2 5.4641 3.732 6.4641 4.4641 2.732 4.732 5.4641 7.2437 3.732 6.4347 7.4128 6.3301 7.9128 5.4641 4.5981 4.5981 6.3301 5.4641 6.3301 3.732 2.866 4.5981 2.866 4.5981 3.732 6.3698 5.8147 7.9792 7.2212 8.3277 8.4144 4.9272 4.0611 6.8671 3.1951 5.4641 6.8671 5.135 2.3291 5.135 3.732 -2.8512 2.1488 -1.8512 2.1488 2.1488 -1.8512 -1.8512 3.1488 3.242 -0.8512 4.6433 4.8512 3.6488 3.9852 1.1488 -0.3512 0.6488 0.6488 -0.8512 -0.3512 -2.8512 -3.3512 -3.3512 -4.3512 -4.3512 -4.8512 5.2599 4.6433 5.1034 5.4409 3.5244 4.3496 3.4588 0.9588 0.9588 -0.5412 -1.4712 -0.6612 -3.0412 -4.6612 -4.6612 -5.4712 8 8 8 8 8 8 8 8 8 8 8 8 15 15 16 16 18 19 21 21 22 23 24 25 17 18 17 19 20 20 22 23 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 728 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3800640000000000000000000000000100000000306000000000000000014000001C0610400000080AC1502431C182400002A00026626470C2001120070008881830668808202281939180200460900008C8071000000000000000200000800000000040000100000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-<I>N</I>-[3-(3,4-dihydro-2<I>H</I>-pyrrol-5-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloranyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-chloro-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H16ClN3O4S2/c17-14-7-1-2-8-15(14)26(23,24)19-12-5-3-6-13(11-12)25(21,22)20-16-9-4-10-18-16/h1-3,5-8,11,19H,4,9-10H2,(H,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZBDBISPAKUVSMB-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 2021.05.07 413.0270760 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H16ClN3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 413.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC=C3Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC=C3Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 122 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 413.0270760 26 0 0 0 0 0 0 0 1 -1