N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol

C18H21F2NO3S — CID 143959250

IUPACN-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
SMILESCO.O=S(=O)(NC1CCCC1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2NO2S.CH4O/c18-13-7-10-16(17(19)11-13)12-5-8-15(9-6-12)23(21,22)20-14-3-1-2-4-14;1-2/h5-11,14,20H,1-4H2;2H,1H3
InChIKeyFRBDMBWWGODCSF-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.46
Rot. Bonds4

About N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol

N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol (PubChem CID 143959250) has the molecular formula C18H21F2NO3S and a molecular weight of 369.43 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
PubChem CID143959250
Molecular FormulaC18H21F2NO3S
Molecular Weight369.43 g/mol
Exact Mass369.12
IUPAC NameN-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
SMILESCO.O=S(=O)(NC1CCCC1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2NO2S.CH4O/c18-13-7-10-16(17(19)11-13)12-5-8-15(9-6-12)23(21,22)20-14-3-1-2-4-14;1-2/h5-11,14,20H,1-4H2;2H,1H3
InChIKeyFRBDMBWWGODCSF-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
CID 45279229
4-(2,4-difluorophenyl)-N-(8-methyl-3-bicyclo[3.2.1]octanyl)benzenesulfonamide
CID 58344278
4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
CID 45279224
4-(2,4-difluorophenyl)-N-[(1S,3R)-3-[(dimethylamino)methyl]cyclopentyl]benzenesulfonamide
CID 129013622
4-(2,4-difluorophenyl)-N-[4-(4-pyrrolidin-1-ylbutyl)cyclohexyl]benzenesulfonamide
CID 129013703
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)cyclopentyl]benzenesulfonamide;ethane;methyl 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylate
CID 143959249
[4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]cyclohexyl]-[(2,4-dimethoxyphenyl)methyl]-methylideneazanium
CID 91160410
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine
CID 58344130
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol?
The IUPAC name of N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol (CID 143959250) is N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol.
What is the SMILES notation for N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol?
The canonical SMILES for N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol is CO.O=S(=O)(NC1CCCC1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol?
The InChIKey is FRBDMBWWGODCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S.CH4O/c18-13-7-10-16(17(19)11-13)12-5-8-15(9-6-12)23(21,22)20-14-3-1-2-4-14;1-2/h5-11,14,20H,1-4H2;2H,1H3.
What are the key properties of N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol?
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol has a molecular weight of 369.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol is sourced from PubChem (CID 143959250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).