N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide

C14H14N2O3S2 — CID 16822393

IUPACN-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccs2)CN1c1ccccc1
InChIInChI=1S/C14H14N2O3S2/c17-13-9-11(10-16(13)12-5-2-1-3-6-12)15-21(18,19)14-7-4-8-20-14/h1-8,11,15H,9-10H2
InChIKeyQEPPWWSNJAJINP-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.83
Rot. Bonds4

About N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide

N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide (PubChem CID 16822393) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
PubChem CID16822393
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESO=C1CC(NS(=O)(=O)c2cccs2)CN1c1ccccc1
InChIInChI=1S/C14H14N2O3S2/c17-13-9-11(10-16(13)12-5-2-1-3-6-12)15-21(18,19)14-7-4-8-20-14/h1-8,11,15H,9-10H2
InChIKeyQEPPWWSNJAJINP-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
N~1~-(2-fluorophenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3244623
N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1077847
1-[4-(4-Fluorophenyl)-1-piperazinyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thienyl]ethanone
CID 2432693
5-bromo-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 3241003
N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4318851
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987763
N-[4-[[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 16288839
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 16805981
N-(5-oxo-1-(p-tolyl)pyrrolidin-3-yl)thiophene-2-sulfonamide
CID 16822399

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide (CID 16822393) is N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide is O=C1CC(NS(=O)(=O)c2cccs2)CN1c1ccccc1.
What is the InChIKey of N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The InChIKey is QEPPWWSNJAJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-13-9-11(10-16(13)12-5-2-1-3-6-12)15-21(18,19)14-7-4-8-20-14/h1-8,11,15H,9-10H2.
What are the key properties of N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide?
N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 16822393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).