2963522 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 16 8 8 8 8 8 7 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 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 17 17 18 18 19 20 20 21 22 23 24 24 24 25 25 25 2 3 7 11 13 36 19 24 21 25 8 26 9 12 10 14 13 17 15 18 16 27 16 20 28 19 29 30 23 32 22 31 21 23 33 22 34 35 37 38 39 40 41 42 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 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 34 35 36 37 38 39 40 41 42 6.3301 6.8301 5.8301 7.1962 2.866 2.866 7.1962 7.1962 8.0622 8.0622 5.4641 6.3301 7.1962 8.9561 4.5981 6.3301 8.9561 5.4641 3.732 9.8622 3.732 4.5981 9.8622 2 2.866 7.7331 5.7932 8.949 4.5981 5.7932 6.001 8.949 10.3979 4.5981 10.3979 6.6592 1.69 1.4631 2.31 2.246 2.866 3.486 -0.905 -1.771 -0.039 3.595 -0.905 -2.905 -0.405 0.595 1.095 2.095 -1.405 1.095 2.595 0.5603 -0.905 2.095 2.6297 -2.405 -1.405 1.0742 -2.405 -2.905 2.1158 -1.405 -3.905 -0.715 0.785 -0.0596 -0.285 2.405 -2.715 3.2496 0.7621 -3.525 2.4279 3.905 -0.8681 -1.715 -1.9419 -3.905 -4.525 -3.905 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 11 11 12 13 14 15 17 18 19 20 21 9 12 10 14 13 17 15 18 16 16 20 19 23 22 21 23 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 534 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 00000371E07A38004000000000000000000000000000000000003060C0000000000000C15400001E04104800000C0C81D80232C7C0400602800224424070C2081020220008881806EC880D262286B19B80702264D0110AF807B0C0B00E80C00144001A40000180028800348000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-1-naphthyl)-3,4-dimethoxy-benzenesulfonamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-1-naphthalenyl)-3,4-dimethoxybenzenesulfonamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-hydroxynaphthalen-1-yl)-3,4-dimethoxybenzenesulfonamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxynaphthalen-1-yl)-3,4-dimethoxybenzenesulfonamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3,4-dimethoxy-N-(4-oxidanylnaphthalen-1-yl)benzenesulfonamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-1-naphthyl)-3,4-dimethoxy-benzenesulfonamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H17NO5S/c1-23-17-10-7-12(11-18(17)24-2)25(21,22)19-15-8-9-16(20)14-6-4-3-5-13(14)15/h3-11,19-20H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AHOWTDFWFOZNPR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.08274382 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H17NO5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)O)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 93.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.08274382 25 0 0 0 0 0 0 0 1 -1