56973483 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 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 2 2 3 6 7 7 8 8 8 9 9 10 10 10 11 11 12 15 16 16 17 17 18 18 19 20 20 21 21 22 4 5 7 15 15 22 13 14 9 23 12 29 30 12 13 11 13 16 14 17 14 20 18 24 19 25 19 26 27 21 28 22 31 32 2 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 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 3 3.809 4.732 2 4 4.732 3 3 3.866 5.5981 5.5981 3.866 4.732 4.732 3 6.492 6.492 7.3981 7.3981 2.191 2.5 3.5 2.4631 6.4848 6.4848 7.9338 7.9338 1.6013 3 2.4631 2.1356 3.8644 -0.7306 -2.3184 -0.7306 -0.7306 -0.7306 3.2694 0.2694 2.2694 0.7694 0.7694 1.7694 1.7694 0.2694 2.2694 -1.7306 0.2348 2.3041 0.7486 1.7902 -2.3184 -3.2694 -3.2694 0.5794 -0.3852 2.924 0.4365 2.1023 -2.1268 2.8894 1.9594 -3.771 -3.771 8 8 8 8 8 8 8 8 8 8 8 2 2 10 10 11 15 16 17 18 20 21 15 22 11 16 17 20 18 19 19 21 22 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 636 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073380060000000000000000000000000012000000030400000000000000081C000001E04104000000C0C85D800B0018040000A8C02A45240704301902408104888198000C8082032A095118021002080002889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-dioxo-2-naphthyl)thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-dioxo-2-naphthalenyl)-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-azanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-diketo-2-naphthyl)thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H10N2O4S2/c15-11-12(16-22(19,20)10-6-3-7-21-10)14(18)9-5-2-1-4-8(9)13(11)17/h1-7,16H,15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NPCKKXBEDMGYHD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.00819915 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H10N2O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NS(=O)(=O)C3=CC=CS3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NS(=O)(=O)C3=CC=CS3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 143 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.00819915 22 0 0 0 0 0 0 0 1 -1