70526274 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 16 8 8 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 1 1 4 4 5 5 5 6 6 6 7 8 8 8 9 9 10 10 11 11 12 12 12 13 14 14 15 15 16 16 16 17 17 18 2 3 4 7 34 35 6 7 11 8 19 20 9 12 21 22 10 14 13 15 13 23 16 24 25 26 17 27 18 28 29 30 31 18 32 33 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 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 6.3301 5.3301 7.3301 6.3301 5.4641 4.5981 6.3301 3.732 7.1962 7.1962 5.4641 2.866 6.3301 8.0901 8.0901 2 8.9962 8.9962 4.1996 4.9966 4.1306 3.3335 4.9272 2.4675 3.2646 6.3301 8.0829 8.0829 2.31 1.4631 1.69 9.5319 9.5319 5.7932 6.8671 -0.8623 -0.8623 -0.8623 -1.8623 0.6377 0.1377 0.1377 0.6377 0.6377 1.6377 1.6377 0.1377 2.1377 0.103 2.1723 0.6377 0.6169 1.6585 -0.3373 -0.3373 1.1126 1.1126 1.9477 -0.3373 -0.3373 2.7577 -0.517 2.7923 1.1746 0.9477 0.1007 0.3048 1.9706 -2.1723 -2.1723 8 8 8 8 8 8 8 8 8 8 8 5 5 7 9 9 10 10 11 14 15 17 7 11 9 10 14 13 15 13 17 18 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 361 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371E0723000400000000000000000000000000000000000306000000000000000C15000001804104000000C008058003201C00000028002204200704200102000000888100000880820228011108020002080000888070080C00EC0000280001400008000050000280000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-butylnaphthalene-1-sulfonamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-butyl-1-naphthalenesulfonamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-butylnaphthalene-1-sulfonamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-butylnaphthalene-1-sulfonamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-butylnaphthalene-1-sulfonamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-butylnaphthalene-1-sulfonamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H17NO2S/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17/h4-5,7-10H,2-3,6H2,1H3,(H2,15,16,17) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RHDCGCKJHXBTCK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.09799996 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H17NO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.36 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 68.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.09799996 18 0 0 0 0 0 0 0 1 -1