3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide

C15H12N2O2S2 — CID 174847740

IUPAC3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cncc(-c3ccsc3)c2)c1
InChIInChI=1S/C15H12N2O2S2/c16-21(18,19)15-3-1-2-11(7-15)13-6-14(9-17-8-13)12-4-5-20-10-12/h1-10H,(H2,16,18,19)
InChIKeyGNFJBXRWCKCTAB-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.12
Rot. Bonds3

About 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide

3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 174847740) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide
PubChem CID174847740
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cncc(-c3ccsc3)c2)c1
InChIInChI=1S/C15H12N2O2S2/c16-21(18,19)15-3-1-2-11(7-15)13-6-14(9-17-8-13)12-4-5-20-10-12/h1-10H,(H2,16,18,19)
InChIKeyGNFJBXRWCKCTAB-UHFFFAOYSA-N
XLogP3.12
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide (CID 174847740) is 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cncc(-c3ccsc3)c2)c1.
What is the InChIKey of 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is GNFJBXRWCKCTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c16-21(18,19)15-3-1-2-11(7-15)13-6-14(9-17-8-13)12-4-5-20-10-12/h1-10H,(H2,16,18,19).
What are the key properties of 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide?
3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 316.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiophen-3-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 174847740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).