24855264 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 38 39 40 41 42 43 44 45 46 47 16 8 8 8 7 7 6 6 6 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 1 1 1 1 1 1 1 1 2 5 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 19 20 20 21 21 22 23 23 24 24 25 3 4 6 22 18 18 20 41 46 47 8 9 13 26 10 27 28 11 29 30 12 31 32 12 33 34 35 36 14 15 16 18 17 37 19 38 19 39 40 21 23 22 42 24 25 43 25 44 45 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 2 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 38 39 40 41 42 43 44 45 46 47 6.3301 5.4641 7.3301 5.3301 4.5981 6.3301 4.5981 5.4641 4.5981 6.3301 5.4641 6.3301 3.732 3.732 2.866 2.866 2 4.5981 2 5.4641 5.4641 6.3301 6.3301 7.1962 7.1962 4.5981 5.8626 5.0656 3.9875 4.386 6.9407 6.5422 5.0656 5.8626 6.5422 6.9407 2.866 2.866 1.4631 1.4631 4.0611 4.9272 6.3301 7.7331 7.7331 6.8671 5.7932 3.095 -1.405 3.095 3.095 0.095 4.095 -2.905 -2.405 -3.905 -2.905 -4.405 -3.905 -2.405 -1.405 -2.905 -0.905 -2.405 -0.905 -1.405 0.595 1.595 2.095 0.095 1.595 0.595 -2.285 -1.93 -1.93 -3.7973 -4.4876 -3.0127 -2.3224 -4.88 -4.88 -4.4876 -3.7973 -3.525 -0.285 -2.715 -1.095 0.405 1.905 -0.525 1.905 0.285 4.405 4.405 8 8 8 8 8 8 8 8 8 8 8 8 13 13 14 15 16 17 20 20 21 22 23 24 14 15 16 17 19 19 21 23 22 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 552 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30004000000000000000000000000000000000003060C0000000000000014000001E04104000000D0881D80030C182C00002880225525070C200102502000888190064C8082032C0959184210C609400C8C9871888C08E80000000201000000000000040200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-N-(3-sulfamoylphenyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-N-(3-sulfamoylphenyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-<I>N</I>-(3-sulfamoylphenyl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-N-(3-sulfamoylphenyl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-N-(3-sulfamoylphenyl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-N-(3-sulfamoylphenyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H22N2O3S/c20-25(23,24)16-10-6-9-15(13-16)21-19(22)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,21,22)(H2,20,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HLXZIOAPBDWVMR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.13511374 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H22N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)C2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CCC(CC1)C2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 97.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.13511374 25 0 0 0 0 0 0 0 1 -1