53239952 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 43 16 8 8 8 7 7 7 7 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 1 1 1 1 1 2 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 11 11 12 12 13 15 15 16 17 18 18 19 19 19 20 20 20 21 21 22 22 23 23 24 25 3 4 8 21 14 10 14 27 13 19 20 17 18 31 42 43 10 11 12 15 14 17 13 26 16 16 28 29 30 22 23 32 33 34 35 36 37 24 25 24 38 25 39 40 41 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 11 9 14 17 7 30 3 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 43 8.9421 7.9939 9.8927 7.9916 6.4103 2.866 7.6995 9.2528 5.4641 5.4641 6.4103 4.5981 3.732 6.9939 4.5981 3.732 6.721 8.0102 2 2.866 8.6315 7.3423 8.9887 7.653 9.2993 4.5981 6.6029 4.5981 3.1951 6.3069 8.1136 1.69 1.4631 2.31 3.486 2.866 2.246 6.7356 9.4027 7.2389 9.906 9.8595 8.8387 2.8728 -2.8907 2.5622 3.1835 -3.6955 -1.8907 -0.9293 3.8233 -2.3907 -3.3907 -2.086 -1.8907 -2.3907 -2.8907 -3.8907 -3.3907 -1.1355 0.0212 -2.3907 -0.8907 1.9223 0.7656 0.2275 1.7161 1.178 -1.2707 -4.2848 -4.5107 -3.7007 -0.674 -1.3907 -1.8538 -2.7007 -2.9277 -0.8907 -0.2707 -0.8907 0.6377 -0.234 2.1775 1.3058 3.9512 4.2848 8 8 8 1 8 8 8 8 8 8 8 8 8 9 9 10 11 12 13 15 18 18 21 21 22 23 10 12 15 17 13 16 16 22 23 24 25 24 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 633 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 3 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 00000371E07BB000400000000000000000000000000160000000306000000000000058014000001E04104000000C08C1D80432C183C00002880225565070C200102102000888990864C8082032C09591842008609400C8C8C71C89809E00048040000200000009008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[5-(dimethylamino)-2-oxo-indolin-3-ylidene]methylamino]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[5-(dimethylamino)-2-oxo-1H-indol-3-ylidene]methylamino]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[5-(dimethylamino)-2-oxo-1<I>H</I>-indol-3-ylidene]methylamino]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[5-(dimethylamino)-2-oxo-1H-indol-3-ylidene]methylamino]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[5-(dimethylamino)-2-oxidanylidene-1H-indol-3-ylidene]methylamino]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[[5-(dimethylamino)-2-keto-indolin-3-ylidene]methylamino]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,19H,1-2H3,(H,20,22)(H2,18,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XHBOHQMIFHBKMM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.10996162 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H18N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C1=CC2=C(C=C1)NC(=O)C2=CNC3=CC=C(C=C3)S(=O)(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C1=CC2=C(C=C1)NC(=O)C2=CNC3=CC=C(C=C3)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.10996162 25 0 0 0 1 0 1 0 1 -1