5310173 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 16 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 1 1 2 2 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 13 13 14 15 15 16 17 17 17 18 19 20 21 21 21 3 4 5 14 19 20 17 33 18 20 8 9 22 23 10 24 25 11 26 27 12 28 29 12 13 15 14 30 16 16 31 32 18 34 35 19 36 21 37 38 39 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 2 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 32 33 34 35 36 37 38 39 6.1808 2 5.6808 6.6808 5.3147 3.4782 10.5788 10.5788 9.6728 9.6728 8.7788 8.7788 7.9128 7.0468 7.9128 7.0468 4.4487 3.5827 2.6691 2.5 2.0933 10.7879 11.1897 11.1897 10.7879 9.2682 10.0664 10.0664 9.2682 7.9128 7.9128 6.5098 5.3147 4.8472 4.0502 2.5402 1.5269 1.8411 2.6597 0.2907 -0.5457 1.1567 -0.5754 -0.2093 -1.2039 0.7698 1.8115 0.256 2.3253 0.7907 1.7907 0.2907 0.7907 2.2907 1.7907 0.2907 -0.2093 0.1974 -1.4118 -2.3253 0.1862 0.8759 1.7054 2.3952 -0.2138 -0.223 2.8043 2.7951 -0.3293 2.9107 2.1007 -0.8293 0.7656 0.7656 0.8038 -2.0731 -2.8917 -2.5775 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 11 11 12 13 14 15 18 19 20 18 20 12 13 15 14 16 16 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 449 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 1 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 00000371E0733000600000000000000000000000000160000000306000000000000000C1C000001C04104000000C08C55E04B2819248100AA40324624470C2F0B0610A3808889C102488086022A01110902000208000A888070080800E90000080001000002000010000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-methylthiazol-4-yl)methyl]tetralin-6-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-methyl-4-thiazolyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-methylthiazol-4-yl)methyl]tetralin-6-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H18N2O2S2/c1-11-17-14(10-20-11)9-16-21(18,19)15-7-6-12-4-2-3-5-13(12)8-15/h6-8,10,16H,2-5,9H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PHQRUHIINMVRER-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.08097017 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H18N2O2S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC(=CS1)CNS(=O)(=O)C2=CC3=C(CCCC3)C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=NC(=CS1)CNS(=O)(=O)C2=CC3=C(CCCC3)C=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 95.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.08097017 21 0 0 0 0 0 0 0 1 -1