N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide

C12H14F3NO3S — CID 165368807

IUPACN-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)8-5-10(17)7-11(6-8)20(18,19)16-9-3-1-2-4-9/h5-7,9,16-17H,1-4H2
InChIKeyYYYSOFMOCCDXBY-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.63
Rot. Bonds3

About N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide

N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 165368807) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide
PubChem CID165368807
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)8-5-10(17)7-11(6-8)20(18,19)16-9-3-1-2-4-9/h5-7,9,16-17H,1-4H2
InChIKeyYYYSOFMOCCDXBY-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-hydroxypyridine-3-sulfonamide
CID 165437606
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 154871298
3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 165368809
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
CID 68756811
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide;methanol
CID 171100231
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
3,5-bis(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]benzenesulfonamide
CID 42625712
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
3-thiophen-3-yl-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491236

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide (CID 165368807) is N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCCC1)c1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YYYSOFMOCCDXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)8-5-10(17)7-11(6-8)20(18,19)16-9-3-1-2-4-9/h5-7,9,16-17H,1-4H2.
What are the key properties of N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 165368807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).