3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide

C14H19FN2O3S — CID 119451309

IUPAC3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCNC1
InChIInChI=1S/C14H19FN2O3S/c1-10(14(18)17-12-6-7-16-8-12)9-21(19,20)13-4-2-11(15)3-5-13/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyWMKNSPGQSBYACW-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.71
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide

3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119451309) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119451309
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCNC1
InChIInChI=1S/C14H19FN2O3S/c1-10(14(18)17-12-6-7-16-8-12)9-21(19,20)13-4-2-11(15)3-5-13/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyWMKNSPGQSBYACW-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 24980954
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
N-cyclopentyl-3-(phenylsulfonyl)propanamide
CID 6459253
1-(benzenesulfonyl)-N-propan-2-ylcyclopent-3-ene-1-carboxamide
CID 24816511
2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4029352
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 4830029
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]-2-methylpropanamide
CID 22581613
2-[4-(Benzenesulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9836943
2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 2802758
4-(2-((4-Fluorophenyl)sulfonyl)acetyl)-3,3-dimethylpiperazin-2-one
CID 16863849
4-(4-((4-Fluorophenyl)sulfonyl)butanoyl)-3,3-dimethylpiperazin-2-one
CID 16863882

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide (CID 119451309) is 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide is CC(CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCNC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is WMKNSPGQSBYACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-10(14(18)17-12-6-7-16-8-12)9-21(19,20)13-4-2-11(15)3-5-13/h2-5,10,12,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide?
3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 314.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119451309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).