3639 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 17 16 16 8 8 8 8 7 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 8 8 9 9 9 10 10 11 11 12 13 13 14 14 15 16 16 17 4 5 8 11 6 7 10 15 13 21 12 13 22 24 25 12 14 16 18 19 15 20 17 17 23 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 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 3.403 6.895 3.403 7.3849 6.385 3.903 2.903 7.801 6.895 2.5369 6.001 6.001 7.801 5.135 4.269 5.135 4.269 8.4119 8.0101 5.135 8.3368 6.8878 5.135 2 2.5369 1.2327 -0.802 -0.7673 -1.6737 -1.6622 -1.6333 0.0987 -0.2881 1.2674 -1.2673 -0.2673 0.7327 0.7535 -0.7673 -0.2673 1.2327 0.7327 0.6474 1.3372 -1.3873 -0.6002 1.8873 1.8527 -0.9573 -1.8873 8 8 8 8 8 8 11 11 12 14 15 16 12 14 16 15 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 494 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C06338006400000000000000000000000000000000003C4000000000000000B10000001C0610400000080A81502431C182C00002800024424070C2001021070000889C086688882022C1929184200860900248C827100000000006000042000180000C000084000300000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 6-chloro-1,1-diketo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JZUFKLXOESDKRF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 296.964475 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H8ClN3O4S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 297.73912 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 135 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 296.964475 17 0 0 0 0 0 0 0 1 1