N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide

C25H20F3NO4S — CID 11663121

IUPACN-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc2cc(O)ccc2c(Oc2ccc(NS(C)(=O)=O)c(C(F)(F)F)c2)c1-c1ccccc1
InChIInChI=1S/C25H20F3NO4S/c1-15-12-17-13-18(30)8-10-20(17)24(23(15)16-6-4-3-5-7-16)33-19-9-11-22(29-34(2,31)32)21(14-19)25(26,27)28/h3-14,29-30H,1-2H3
InChIKeyKUVIPQATPJRYDB-UHFFFAOYSA-N
MW487.50 g/mol
LogP6.70
Rot. Bonds5

About N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 11663121) has the molecular formula C25H20F3NO4S and a molecular weight of 487.50 g/mol. Its IUPAC name is N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID11663121
Molecular FormulaC25H20F3NO4S
Molecular Weight487.50 g/mol
Exact Mass487.11
IUPAC NameN-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc2cc(O)ccc2c(Oc2ccc(NS(C)(=O)=O)c(C(F)(F)F)c2)c1-c1ccccc1
InChIInChI=1S/C25H20F3NO4S/c1-15-12-17-13-18(30)8-10-20(17)24(23(15)16-6-4-3-5-7-16)33-19-9-11-22(29-34(2,31)32)21(14-19)25(26,27)28/h3-14,29-30H,1-2H3
InChIKeyKUVIPQATPJRYDB-UHFFFAOYSA-N
XLogP6.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-5-[4-(methylsulfanylamino)-3-(trifluoromethyl)phenoxy]-6-phenylnaphthalen-2-ol
CID 143160863
2-[4-[2-(3-fluorophenyl)-6-hydroxy-3-methylnaphthalen-1-yl]oxy-2-(trifluoromethyl)phenoxy]acetic acid
CID 11691605
2-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]ethenylphosphonic acid
CID 68537246
4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzoic acid
CID 68534678
(E)-3-[3-fluoro-4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoic acid
CID 11495320
7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol
CID 141134482
(E)-3-[4-[6-hydroxy-2-phenyl-3-(3,3,3-trifluoropropyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 11677309
N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
3-fluoro-4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzaldehyde
CID 86616640
N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373451
2-[4-phenoxy-2-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607453
5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide (CID 11663121) is N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide is Cc1cc2cc(O)ccc2c(Oc2ccc(NS(C)(=O)=O)c(C(F)(F)F)c2)c1-c1ccccc1.
What is the InChIKey of N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is KUVIPQATPJRYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO4S/c1-15-12-17-13-18(30)8-10-20(17)24(23(15)16-6-4-3-5-7-16)33-19-9-11-22(29-34(2,31)32)21(14-19)25(26,27)28/h3-14,29-30H,1-2H3.
What are the key properties of N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 487.50 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-hydroxy-3-methyl-2-phenylnaphthalen-1-yl)oxy-2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 11663121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).