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

C12H16FNO3S — CID 103836039

IUPAC2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CO)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-10-5-1-2-7-12(10)18(16,17)14-11-6-3-4-9(11)8-15/h1-2,5,7,9,11,14-15H,3-4,6,8H2
InChIKeyBIINKBSMDDRSSX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.26
Rot. Bonds4

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

2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 103836039) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID103836039
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CO)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-10-5-1-2-7-12(10)18(16,17)14-11-6-3-4-9(11)8-15/h1-2,5,7,9,11,14-15H,3-4,6,8H2
InChIKeyBIINKBSMDDRSSX-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080
2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978995
3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide
CID 106360576
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 103836039) is 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1CCCC1CO)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is BIINKBSMDDRSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-10-5-1-2-7-12(10)18(16,17)14-11-6-3-4-9(11)8-15/h1-2,5,7,9,11,14-15H,3-4,6,8H2.
What are the key properties of 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 103836039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).