4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide

C9H12FNO3S — CID 43394414

IUPAC4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO3S/c1-7(12)6-11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3
InChIKeyWUKXHYFTZUGOAL-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.48
Rot. Bonds4

About 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide

4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 43394414) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
PubChem CID43394414
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO3S/c1-7(12)6-11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3
InChIKeyWUKXHYFTZUGOAL-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide
CID 69116642
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
N-(3-chloro-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 65036723
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-(4-chloro-2-methylbutyl)-4-fluorobenzenesulfonamide
CID 66092046

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (CID 43394414) is 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is WUKXHYFTZUGOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-7(12)6-11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3.
What are the key properties of 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43394414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).