N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide

C13H17FN2O3S — CID 119341168

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CCCN1
InChIInChI=1S/C13H17FN2O3S/c14-10-3-5-11(6-4-10)20(18,19)9-8-16-13(17)12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17)
InChIKeyVLFCNSYOYOTEOM-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.47
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide (PubChem CID 119341168) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide
PubChem CID119341168
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CCCN1
InChIInChI=1S/C13H17FN2O3S/c14-10-3-5-11(6-4-10)20(18,19)9-8-16-13(17)12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17)
InChIKeyVLFCNSYOYOTEOM-UHFFFAOYSA-N
XLogP0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 2999598
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
(2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 127039395
3-((2S,4S)-4-phenylsulfonylamino-2-pyrrolidinylcarbonyl)-1,3-thiazolidine
CID 44422496
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid cyclohexylamide
CID 3219574
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
N-cyclopentyl-3-(phenylsulfonyl)propanamide
CID 6459253
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-((S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pyrrolidine-2-carboxamide
CID 23643997
1-[(4-Fluorophenyl)sulfonyl]prolinamide
CID 2947537
2-[4-(Benzenesulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9836943

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide (CID 119341168) is N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide is O=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CCCN1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide?
The InChIKey is VLFCNSYOYOTEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-10-3-5-11(6-4-10)20(18,19)9-8-16-13(17)12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119341168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).