1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide

C10H14FNO3S — CID 43502310

IUPAC1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
SMILESCC(O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-8(13)6-12-16(14,15)7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3
InChIKeyXTDRBNXOKZMQGI-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.63
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide

1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide (PubChem CID 43502310) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
PubChem CID43502310
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
SMILESCC(O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-8(13)6-12-16(14,15)7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3
InChIKeyXTDRBNXOKZMQGI-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499045
2-[[(4-fluorophenyl)methylsulfonylamino]methyl]-3-methylbutanoic acid
CID 65220967
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide
CID 125422258
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide (CID 43502310) is 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide is CC(O)CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide?
The InChIKey is XTDRBNXOKZMQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-8(13)6-12-16(14,15)7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 43502310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).