16738589 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 16 9 9 9 8 8 8 8 7 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 2 3 4 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 18 18 19 19 20 20 21 21 22 23 23 24 24 5 6 9 13 26 26 26 15 38 25 26 10 27 11 14 12 16 15 18 19 20 17 28 17 21 29 30 22 31 23 32 24 33 22 34 35 25 36 25 37 2 2 1 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 1 1 2 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 6.4641 3 2 4 6.9641 5.9641 7.3301 3 7.3301 7.3301 8.1962 8.1962 5.5981 6.4641 7.3301 9.0901 6.4641 9.0901 4.732 5.5981 9.9962 9.9962 3.866 4.732 3.866 3 7.8671 5.9272 9.0829 5.9272 9.0829 4.732 6.135 10.5319 10.5319 3.3291 4.732 6.7932 -0.405 -4.405 -3.405 -3.405 -1.271 0.461 4.095 -2.405 0.095 1.095 1.595 2.595 -0.905 1.595 3.095 1.0603 2.595 3.1297 -0.405 -1.905 1.5742 2.6158 -0.905 -2.405 -1.905 -3.405 -0.215 1.285 0.4404 2.905 3.7496 0.215 -2.215 1.2621 2.9279 -0.595 -3.025 4.405 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 11 12 12 13 13 14 15 16 18 19 20 21 23 24 11 14 12 16 15 18 19 20 17 17 21 22 23 24 22 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 570 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 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 00000371C07A39804000000000000000000000000000000000003060C0000000000000C15400001F04104800000C0C81D81030C7C0400602800224424070C20810202200088818066C880C262286B19B80702064D01108F807B0C0B00E80C00140001A00000180028000340000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-1-naphthyl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-1-naphthalenyl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-oxidanylnaphthalen-1-yl)-4-(trifluoromethyloxy)benzenesulfonamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-1-naphthyl)-4-(trifluoromethoxy)benzenesulfonamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H12F3NO4S/c18-17(19,20)25-11-5-7-12(8-6-11)26(23,24)21-15-9-10-16(22)14-4-2-1-3-13(14)15/h1-10,21-22H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KECMZASBKJCDSY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.04391352 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H12F3NO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC=C2O)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC=C2O)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 84 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.04391352 26 0 0 0 0 0 0 0 1 -1