N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide

C14H14N2O3S2 — CID 7635948

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=C1CCCN1c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H14N2O3S2/c17-13-6-2-8-16(13)12-5-1-4-11(10-12)15-21(18,19)14-7-3-9-20-14/h1,3-5,7,9-10,15H,2,6,8H2
InChIKeyZZBLNFQMKRKGGB-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.68
Rot. Bonds4

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 7635948) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID7635948
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=C1CCCN1c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H14N2O3S2/c17-13-6-2-8-16(13)12-5-1-4-11(10-12)15-21(18,19)14-7-3-9-20-14/h1,3-5,7,9-10,15H,2,6,8H2
InChIKeyZZBLNFQMKRKGGB-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide (CID 7635948) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide is O=C1CCCN1c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is ZZBLNFQMKRKGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-13-6-2-8-16(13)12-5-1-4-11(10-12)15-21(18,19)14-7-3-9-20-14/h1,3-5,7,9-10,15H,2,6,8H2.
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7635948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).