2-(4-fluorophenyl)sulfonylbutanamide

C10H12FNO3S — CID 64717963

IUPAC2-(4-fluorophenyl)sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-2-9(10(12)13)16(14,15)8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H2,12,13)
InChIKeyNJNKRDZHCQAMJD-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.86
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonylbutanamide

2-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 64717963) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylbutanamide
PubChem CID64717963
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2-(4-fluorophenyl)sulfonylbutanamide
SMILESCCC(C(N)=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-2-9(10(12)13)16(14,15)8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H2,12,13)
InChIKeyNJNKRDZHCQAMJD-UHFFFAOYSA-N
XLogP0.86
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
CID 94652953
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
ethyl 2-(3,4-difluorophenyl)sulfonylbutanoate
CID 64662683
(2R)-2-(4-chlorophenyl)sulfonyl-4-methylpentanamide
CID 150685288
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
3-(1-amino-1-oxobutan-2-yl)sulfonyl-4,5-difluorobenzoic acid
CID 105116189
(2S)-2-[(4-fluorophenyl)sulfonyl-phenylmethyl]butan-1-ol
CID 164685184
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86850077
1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
CID 139197599
3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine
CID 115040676
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonylbutanamide (CID 64717963) is 2-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylbutanamide is CCC(C(N)=O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is NJNKRDZHCQAMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-2-9(10(12)13)16(14,15)8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H2,12,13).
What are the key properties of 2-(4-fluorophenyl)sulfonylbutanamide?
2-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 245.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 64717963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).