N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

C13H10N2O3S3 — CID 71297184

IUPACN-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c(-c2cccc(NS(=O)(=O)c3cccs3)c2)cs1
InChIInChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)
InChIKeyPSOFLBHWUXTHTE-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.97
Rot. Bonds4

About N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 71297184) has the molecular formula C13H10N2O3S3 and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
PubChem CID71297184
Molecular FormulaC13H10N2O3S3
Molecular Weight338.44 g/mol
Exact Mass337.99
IUPAC NameN-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c(-c2cccc(NS(=O)(=O)c3cccs3)c2)cs1
InChIInChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)
InChIKeyPSOFLBHWUXTHTE-UHFFFAOYSA-N
XLogP2.97
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (CID 71297184) is N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is O=c1[nH]c(-c2cccc(NS(=O)(=O)c3cccs3)c2)cs1.
What is the InChIKey of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is PSOFLBHWUXTHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16).
What are the key properties of N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 338.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71297184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).