2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide

C13H18FNO3S — CID 47218676

IUPAC2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO3S/c1-3-10(4-2)15-13(16)9-19(17,18)12-8-6-5-7-11(12)14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyYBRRYSQMTJJIRK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.90
Rot. Bonds6

About 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide

2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide (PubChem CID 47218676) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
PubChem CID47218676
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO3S/c1-3-10(4-2)15-13(16)9-19(17,18)12-8-6-5-7-11(12)14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyYBRRYSQMTJJIRK-UHFFFAOYSA-N
XLogP1.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2-fluorophenyl)sulfonylacetamide
CID 47148223
ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate
CID 75466349
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849451
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
CID 99842975
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 24703260
2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 81202646
1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64645946
4-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfonylbenzoic acid
CID 60709127
4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64897786
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
CID 60673244

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide (CID 47218676) is 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide?
The InChIKey is YBRRYSQMTJJIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-3-10(4-2)15-13(16)9-19(17,18)12-8-6-5-7-11(12)14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide?
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 47218676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).