8281 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 16 8 8 8 7 7 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 4 5 5 6 6 6 7 7 8 8 9 9 10 10 11 12 13 14 14 14 15 16 16 16 17 17 17 2 3 5 7 13 13 20 10 30 31 8 9 11 18 12 19 11 12 21 22 15 15 16 17 23 24 25 26 27 28 29 2 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 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 3 4 2 4.732 3 3 3 3.866 2.134 3 3.866 2.134 3.866 4.732 3.866 4.732 5.5981 4.403 1.597 2.4631 4.403 1.597 3.3291 5.352 4.732 4.112 5.2881 6.135 5.9081 2.4631 3.5369 0.155 0.155 0.155 1.155 1.155 -3.845 -0.845 -1.345 -1.345 -2.845 -2.345 -2.345 1.655 3.155 2.655 4.155 2.655 -1.035 -1.035 1.465 -2.655 -2.655 2.965 4.155 4.775 4.155 2.1181 2.345 3.1919 -4.155 -4.155 8 8 8 8 8 8 7 7 8 9 10 10 8 9 11 12 11 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 397 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733000400000000000000000000000000000000000300000000000000000010000001E04104000000C0881D00032C180400002880225525070C200102002000888180064C808202280919180200060900008C9071000000000040000000000000008000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)sulfonyl-3-methyl-but-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)sulfonyl-3-methyl-2-butenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-aminophenyl)sulfonyl-3-methyl-but-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-N-sulfanilyl-but-2-enamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XRVJPLDTMUSSDE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.07251349 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H14N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 97.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.07251349 17 0 0 0 0 0 0 0 1 2