221221 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 16 8 8 7 7 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 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 2 3 4 12 6 9 20 35 36 7 21 22 8 23 24 10 25 26 10 11 13 14 27 16 17 15 28 15 29 30 18 31 19 32 20 33 20 34 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 2 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 32 33 34 35 36 4.666 5.666 3.666 4.666 4.666 5.5321 5.5321 4.666 3.8 3.8 2.9061 4.666 2.9061 2 2 5.5321 3.8 5.5321 3.8 4.666 5.7441 6.1426 6.1426 5.7441 5.0646 4.2675 2.9132 2.9132 1.4643 1.4643 6.069 3.2631 6.069 3.2631 5.203 4.1291 0.6377 0.6377 0.6377 1.6377 -3.3623 2.1377 3.1377 3.6377 2.1377 3.1377 1.603 -0.3623 3.6723 2.1168 3.1585 -0.8623 -0.8623 -1.8623 -1.8623 -2.3623 1.5551 2.2453 3.03 3.7203 4.1126 4.1126 0.983 4.2923 1.8048 3.4706 -0.5523 -0.5523 -2.1723 -2.1723 -3.6723 -3.6723 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 12 12 13 14 16 17 18 19 10 11 13 14 16 17 15 15 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 424 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07330004000000000000000000000000000000000003C6080000000000000B14000001C04104000000C08C1580430C182400002800224424070C20010210200088818086488082022C09191842008609000C8C8071080800E00040000000200000008000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)aniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(3,4-dihydro-2<I>H</I>-quinolin-1-ylsulfonyl)aniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)aniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H16N2O2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11,16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OFHUMRFYQYBKIN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.09324893 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H16N2O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 71.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.09324893 20 0 0 0 0 0 0 0 1 -1