53377443 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 16 16 8 8 8 7 7 7 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 2 2 5 6 6 7 7 7 8 8 9 9 9 10 11 12 12 13 14 14 16 16 17 18 18 19 20 20 21 21 22 22 23 23 24 25 25 26 3 4 6 17 17 26 15 10 27 12 15 30 11 13 10 11 14 16 15 13 20 21 18 28 19 29 22 19 31 32 23 33 24 34 25 35 24 36 37 26 38 39 2 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 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 5.5321 6.3411 4.5321 6.5321 6.3981 5.5321 4.666 4.666 6.3981 6.3981 5.5321 3.8 3.8 7.2641 5.5321 7.2641 5.5321 8.1301 8.1301 2.9061 2.9061 4.723 2 2 5.0321 6.0321 4.9951 7.2641 7.2641 4.666 8.6671 8.6671 2.9132 2.9132 4.1334 1.4643 1.4643 4.6676 6.3965 1.2906 2.8784 1.2906 1.2906 -3.2094 0.2906 -3.2094 -1.2094 -1.2094 -0.2094 -1.7094 -2.7094 -1.7094 -1.7094 -2.7094 0.2906 2.2906 -1.2094 -0.2094 -3.2441 -1.1748 2.8784 -2.7302 -1.6886 3.8294 3.8294 -0.0194 -2.3294 0.9106 -3.8294 -1.5194 0.1006 -3.864 -0.5548 2.6868 -3.0423 -1.3765 4.331 4.331 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 8 8 9 9 10 11 12 12 13 14 16 17 18 20 21 22 23 25 17 26 12 15 11 13 10 14 16 15 13 20 21 18 19 22 19 23 24 25 24 26 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 674 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B300060000000000000000000000000012000000030608000000000000081D000001E04104000000C0885D800B0C182C0000AAC0325725470C30190210A104888192074980860B2E09591942008609400E8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H13N3O3S2/c22-18-17(19-14-8-3-4-9-15(14)20-18)12-6-1-2-7-13(12)21-26(23,24)16-10-5-11-25-16/h1-11,21H,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RPTVUYJCVYZVKE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.03983363 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H13N3O3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NS(=O)(=O)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NS(=O)(=O)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 124 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.03983363 26 0 0 0 0 0 0 0 1 -1