6539046 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 16 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 1 1 2 5 5 5 6 6 6 7 7 8 8 8 9 9 10 11 13 13 14 14 15 15 16 16 16 17 17 18 18 19 19 20 20 21 22 23 3 4 7 17 12 10 12 24 11 14 25 37 38 9 11 12 10 13 15 16 18 26 19 20 21 27 28 29 30 22 23 21 31 22 32 23 33 34 35 36 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 8 9 12 11 16 6 2 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 7.2101 6.2619 8.1606 6.2596 4.6783 5.9674 7.5208 4.6783 3.732 3.732 4.9889 5.2619 2.866 6.2781 2.866 4.3211 6.8994 2 5.6103 7.2566 2 5.9209 7.5673 4.8709 6.3815 2.866 2.866 4.7826 3.907 3.8596 1.4631 5.0036 7.6707 1.4631 5.5069 8.1739 8.1274 7.1067 2.8728 -2.8907 2.5622 3.1835 -3.6955 -0.9293 3.8233 -2.086 -2.3907 -3.3907 -1.1355 -2.8907 -1.8907 0.0212 -3.8907 -0.3912 1.9223 -2.3907 0.7656 0.2275 -3.3907 1.7161 1.178 -4.2848 -1.3907 -1.2707 -4.5107 0.0229 0.0703 -0.8053 -2.0807 0.6377 -0.234 -3.7007 2.1775 1.3058 3.9512 4.2848 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 13 14 14 15 17 17 18 19 20 10 13 15 18 19 20 21 22 23 21 22 23 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 601 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 3 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 00000371C07B3000400000000000000000000000000160000000306000000000000058014000001E04104000000C0881D80032C182C00002880225525070C200102102000888190064C8082032C09591842008609400C8C9471C88808E00040000000200000008000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[(1Z)-1-(2-oxoindolin-3-ylidene)ethyl]amino]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[(1Z)-1-(2-oxo-1H-indol-3-ylidene)ethyl]amino]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[(1<I>Z</I>)-1-(2-oxo-1<I>H</I>-indol-3-ylidene)ethyl]amino]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[(1Z)-1-(2-oxo-1H-indol-3-ylidene)ethyl]amino]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[(1Z)-1-(2-oxidanylidene-1H-indol-3-ylidene)ethyl]amino]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[(1Z)-1-(2-ketoindolin-3-ylidene)ethyl]amino]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H15N3O3S/c1-10(15-13-4-2-3-5-14(13)19-16(15)20)18-11-6-8-12(9-7-11)23(17,21)22/h2-9,18H,1H3,(H,19,20)(H2,17,21,22)/b15-10- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZQAZHQLWCKQXTD-GDNBJRDFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.08341252 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H15N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=C1C2=CC=CC=C2NC1=O)NC3=CC=C(C=C3)S(=O)(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C/C(=C/1\C2=CC=CC=C2NC1=O)/NC3=CC=C(C=C3)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 110 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.08341252 23 0 0 0 1 1 0 0 1 -1