5343 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 16 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 1 1 1 1 1 1 1 1 1 1 4 4 5 5 6 6 7 7 7 8 8 9 10 10 11 11 12 12 13 13 14 14 16 17 18 18 18 19 19 19 2 3 4 8 9 20 9 17 16 17 15 32 33 10 11 12 13 21 14 22 16 23 15 24 15 25 18 19 26 27 28 29 30 31 2 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 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 3 4 2 3 3.866 5.5981 3 3 3.866 3.866 2.134 4.732 3.866 2.134 3 5.5981 4.732 6.4641 4.732 2.4631 4.403 1.597 4.732 4.403 1.597 6.1541 7.001 6.7741 5.352 4.732 4.112 2.4631 3.5369 0.155 0.155 0.155 1.155 2.655 2.655 -3.845 -0.845 1.655 -1.345 -1.345 1.155 -2.345 -2.345 -2.845 1.655 3.155 1.155 4.155 1.465 -1.035 -1.035 0.535 -2.655 -2.655 0.6181 0.845 1.6919 4.155 4.775 4.155 -4.155 -4.155 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 9 10 11 12 13 14 9 17 16 17 10 11 12 13 14 16 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 387 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073B0004000000000000000000000000000000000003C400000000000000001C000001C0410400000080881570033F196481002A00126626470C280392102A0099838306498882822C0D9D1842408689002C8C8271000000000040000000000000008000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-<I>N</I>-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-azanyl-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YZMCKZRAOLZXAZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 278.08374688 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H14N4O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 278.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 106 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 278.08374688 19 0 0 0 0 0 0 0 1 -1