58988092 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 16 8 8 8 8 7 7 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 2 2 3 6 6 6 7 7 8 8 9 9 9 10 10 11 12 13 13 13 15 15 15 16 16 17 17 18 18 19 20 20 21 21 22 23 23 23 4 5 7 10 11 13 14 8 14 27 40 41 12 16 11 14 18 12 17 20 24 15 25 26 23 28 29 19 30 19 31 21 32 33 22 34 22 35 36 37 38 39 2 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 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 32 33 34 35 36 37 38 39 40 41 7.1962 3.732 6.3301 8.1962 6.1962 5.4641 7.1962 6.3301 4.5981 7.1962 3.732 6.3301 2.866 5.4641 2.866 7.1962 8.0622 4.5981 8.0622 2.866 3.732 2.866 2 5.7932 2.2554 2.654 4.9272 3.4766 3.0781 7.1962 8.5991 5.135 8.5991 2.3291 3.732 2.3291 2.31 1.4631 1.69 7.7331 6.6592 2.345 -0.655 -2.155 2.345 2.345 -0.655 3.345 -0.155 -2.155 1.345 -1.655 0.845 -0.155 -1.655 0.845 -0.655 0.845 -3.155 -0.155 -2.155 -3.655 -3.155 1.345 1.155 -0.0473 -0.7376 -0.345 0.7373 1.4276 -1.275 1.155 -3.465 -0.465 -1.845 -4.275 -3.465 1.8819 1.655 0.8081 3.655 3.655 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 11 16 17 18 20 21 12 16 11 18 12 17 20 19 19 21 22 22 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 489 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800400000000000000000000000000000000000306000000000000000014000001E04104000000C0CA1D80232C782C00402880225525070C20810252200088819066CC80C2636C4B59B86396CE6F411C8E98798C8208E00000000200800000000000040100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propoxy-N-(3-sulfamoylphenyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propoxy-N-(3-sulfamoylphenyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propoxy-<I>N</I>-(3-sulfamoylphenyl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propoxy-N-(3-sulfamoylphenyl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propoxy-N-(3-sulfamoylphenyl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-propoxy-N-(3-sulfamoylphenyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H18N2O4S/c1-2-10-22-15-9-4-3-8-14(15)16(19)18-12-6-5-7-13(11-12)23(17,20)21/h3-9,11H,2,10H2,1H3,(H,18,19)(H2,17,20,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FGKJDZYGYVXQOQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.09872823 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H18N2O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCOC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCOC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 107 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.09872823 23 0 0 0 0 0 0 0 1 -1