3272524 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 16 8 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 6 -1 10 1 1 1 1 1 4 5 6 7 8 8 8 9 9 9 10 11 11 12 12 12 13 13 14 15 16 17 18 19 19 20 20 21 22 2 3 11 15 22 23 10 10 14 22 27 16 23 29 17 30 31 13 15 17 14 19 16 20 18 18 24 21 25 21 26 28 23 2 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 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 8.3061 8.3176 8.2945 2 2 6.3961 7.8962 3.7702 3.7702 6.8962 9.306 6.3961 5.5301 4.6641 7.3062 4.6641 6.3961 5.5301 5.5141 7.3142 6.4121 2.8641 2.8641 5.5301 4.9736 7.8523 3.7773 6.4097 3.7773 9.6222 9.6098 0.8267 1.8266 -0.1733 0.8555 -1.1928 -2.4007 -1.5346 0.8661 -1.2033 -1.5346 0.8151 0.3314 0.8314 0.3314 0.8382 -0.6686 -0.6686 -1.1686 1.8729 1.8798 2.4007 0.3522 -0.6894 -1.7886 2.1767 2.1878 1.486 3.0206 -1.8232 1.3484 0.2746 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 12 12 12 13 13 14 15 16 17 19 20 22 14 22 16 23 13 15 17 14 19 16 20 18 18 21 21 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 653 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073B8004000000000000000000000000000000000003C6080000000000000F15000001E04144000000C0881D80030C1C2D04002890225525370C2001021020028881880748A086022C0D1F194200C609400C8C8071080800E880080C00416002010010180082C0040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-diketo-6-nitro-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UQNAFPHGVPVTAL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.01645516 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H8N4O6S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 173 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.01645516 23 0 0 0 0 0 0 0 1 -1