54685821 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 16 8 8 8 8 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 4 4 5 6 6 7 7 7 8 8 9 9 10 10 12 12 12 13 13 14 14 16 16 17 18 18 19 19 20 20 21 21 22 22 23 2 3 6 9 11 32 15 8 12 15 18 31 10 13 11 15 11 14 24 25 26 16 27 17 28 17 29 30 19 20 21 33 22 34 23 35 23 36 37 2 2 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 5.5321 6.0321 6.5321 4.666 7.2641 4.666 6.3981 3.8 5.5321 3.8 4.666 4.666 2.9061 2.9061 6.3981 2 2 7.2641 7.2641 8.1301 8.1301 8.9962 8.9962 4.046 4.666 5.286 2.9132 2.9132 1.4643 1.4643 5.8612 4.1291 6.7272 8.1301 8.1301 9.5331 9.5331 -1.5 -2.366 -1.5 1 -0.5 -2 1 -1.5 -0.5 -0.5 0 -3 -2.0347 0.0347 0 -1.5208 -0.4792 1.5 2.5 1 3 1.5 2.5 -3 -3.62 -3 -2.6546 0.6546 -1.8329 -0.1671 1.31 1.31 2.81 0.38 3.62 1.19 2.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 13 14 16 18 18 19 20 21 22 10 13 14 16 17 17 19 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 602 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B3800400000000000000000000000000000000000306080000000000000814000001E04104800000C0C81D80432C082C00202880225525070C20000212200088800086CC8082622C0919184700866D401C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-methyl-2,2-dioxo-<I>N</I>-phenyl-2&lambda;<SUP>6</SUP>,1-benzothiazine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-methyl-4-oxidanyl-2,2-bis(oxidanylidene)-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-2,2-diketo-1-methyl-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,19H,1H3,(H,17,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CLKKWQOKQDVKQN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.06742811 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H14N2O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2C(=C(S1(=O)=O)C(=O)NC3=CC=CC=C3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2C(=C(S1(=O)=O)C(=O)NC3=CC=CC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 95.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.06742811 23 0 0 0 0 0 0 0 1 -1