4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide

C11H14FNO3S — CID 40650403

IUPAC4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCC[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c12-8-4-6-9(7-5-8)17(15,16)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2/t10-,11-/m0/s1
InChIKeyVBOKHTVENLKZOT-QWRGUYRKSA-N
MW259.30 g/mol
LogP1.02
Rot. Bonds3

About 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide

4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide (PubChem CID 40650403) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
PubChem CID40650403
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCC[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c12-8-4-6-9(7-5-8)17(15,16)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2/t10-,11-/m0/s1
InChIKeyVBOKHTVENLKZOT-QWRGUYRKSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-hydrazinyl-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360200
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-[(1S,2R)-2-hydroxycyclohexyl]-4-nitrobenzenesulfonamide
CID 40617850
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide (CID 40650403) is 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCC[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide?
The InChIKey is VBOKHTVENLKZOT-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-8-4-6-9(7-5-8)17(15,16)13-10-2-1-3-11(10)14/h4-7,10-11,13-14H,1-3H2/t10-,11-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide?
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide is sourced from PubChem (CID 40650403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).