2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide

C12H16FNO3S — CID 21078665

IUPAC2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-10-5-1-2-6-11(10)18(16,17)14-12(9-15)7-3-4-8-12/h1-2,5-6,14-15H,3-4,7-9H2
InChIKeyDQJVUSWTKNKMGX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.41
Rot. Bonds4

About 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide

2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 21078665) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID21078665
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-10-5-1-2-6-11(10)18(16,17)14-12(9-15)7-3-4-8-12/h1-2,5-6,14-15H,3-4,7-9H2
InChIKeyDQJVUSWTKNKMGX-UHFFFAOYSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902909
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 62520137
3-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-sulfonamide
CID 103300487
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid
CID 61292850
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 21078665) is 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is DQJVUSWTKNKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-10-5-1-2-6-11(10)18(16,17)14-12(9-15)7-3-4-8-12/h1-2,5-6,14-15H,3-4,7-9H2.
What are the key properties of 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 21078665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).