61131057 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 16 8 8 8 7 7 7 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 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 11 12 12 13 13 14 14 14 14 15 17 18 18 19 19 20 20 21 2 3 6 10 16 9 16 26 32 33 17 20 9 11 12 22 23 11 13 24 15 25 15 27 16 17 28 29 30 18 19 31 21 34 21 35 36 2 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 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 7.1962 8.1962 6.1962 3.732 5.4641 7.1962 2.866 6.3301 5.4641 7.1962 6.3301 7.1962 8.0622 4.5981 8.0622 4.5981 3.732 3.732 2.866 2 2 5.252 4.8535 5.7932 7.1962 6.001 8.5991 4.8101 5.2087 8.5991 4.269 7.7331 6.6592 2.866 1.4631 1.4631 3.095 3.095 3.095 -0.905 -0.905 4.095 -2.405 0.595 0.095 2.095 1.595 0.095 1.595 -2.405 0.595 -1.405 -2.905 -3.905 -4.405 -2.905 -3.905 0.6776 -0.0127 1.905 -0.525 -1.215 1.905 -2.9876 -2.2973 0.285 -4.215 4.405 4.405 -5.025 -2.595 -4.215 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 10 10 12 13 17 18 19 20 17 20 11 12 11 13 15 15 18 19 21 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 447 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07330004000000000000000000000000000000000003C400000000000000001C000001E04104000000C08C1DE043C8192C81002A80335775470C2803031022008D8B93864980820FAC0D591842008609600C8C8071888008E00000080000000000000010000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-pyridyl)-N-[(3-sulfamoylphenyl)methyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-pyridinyl)-N-[(3-sulfamoylphenyl)methyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-pyridin-2-yl-<I>N</I>-[(3-sulfamoylphenyl)methyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-pyridin-2-yl-N-[(3-sulfamoylphenyl)methyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-pyridin-2-yl-N-[(3-sulfamoylphenyl)methyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-pyridyl)-N-(3-sulfamoylbenzyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H15N3O3S/c15-21(19,20)13-6-3-4-11(8-13)10-17-14(18)9-12-5-1-2-7-16-12/h1-8H,9-10H2,(H,17,18)(H2,15,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QFWDEGHIFHMQRT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.08341252 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H15N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.35 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)CC(=O)NCC2=CC(=CC=C2)S(=O)(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)CC(=O)NCC2=CC(=CC=C2)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 111 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.08341252 21 0 0 0 0 0 0 0 1 -1