2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C14H20FNO3S — CID 106000293

IUPAC2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-10-2-3-11(6-10)8-16-20(18,19)14-5-4-12(9-17)7-13(14)15/h4-5,7,10-11,16-17H,2-3,6,8-9H2,1H3
InChIKeyAAXBYJGYHDNXHH-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.03
Rot. Bonds5

About 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 106000293) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID106000293
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(CO)cc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-10-2-3-11(6-10)8-16-20(18,19)14-5-4-12(9-17)7-13(14)15/h4-5,7,10-11,16-17H,2-3,6,8-9H2,1H3
InChIKeyAAXBYJGYHDNXHH-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 79187243
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000246
[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187737
N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide
CID 106125576
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
2,5-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000226
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol
CID 79187805
2-fluoro-4-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132231
4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102704119

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 106000293) is 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2ccc(CO)cc2F)C1.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is AAXBYJGYHDNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-2-3-11(6-10)8-16-20(18,19)14-5-4-12(9-17)7-13(14)15/h4-5,7,10-11,16-17H,2-3,6,8-9H2,1H3.
What are the key properties of 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106000293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).