N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide

C18H20F3NO4S — CID 71782074

IUPACN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CC(C)(O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H20F3NO4S/c1-17(23,11-13-6-8-15(26-2)9-7-13)12-22-27(24,25)16-5-3-4-14(10-16)18(19,20)21/h3-10,22-23H,11-12H2,1-2H3
InChIKeyWNCQVTZBZDZXRE-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.99
Rot. Bonds7

About N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71782074) has the molecular formula C18H20F3NO4S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71782074
Molecular FormulaC18H20F3NO4S
Molecular Weight403.42 g/mol
Exact Mass403.11
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CC(C)(O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H20F3NO4S/c1-17(23,11-13-6-8-15(26-2)9-7-13)12-22-27(24,25)16-5-3-4-14(10-16)18(19,20)21/h3-10,22-23H,11-12H2,1-2H3
InChIKeyWNCQVTZBZDZXRE-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548668
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-nitrobenzenesulfonamide
CID 90498311
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55407572
4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 95983001
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 97355105
1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 90498317
N-[(4-methoxyphenyl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 17474210
methyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 46556509
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 90498239
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide (CID 71782074) is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(CC(C)(O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WNCQVTZBZDZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO4S/c1-17(23,11-13-6-8-15(26-2)9-7-13)12-22-27(24,25)16-5-3-4-14(10-16)18(19,20)21/h3-10,22-23H,11-12H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 403.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71782074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).