3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide

C17H13ClN2O4S2 — CID 1310476

IUPAC3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H13ClN2O4S2/c18-13-9-10-17(19-12-13)20-26(23,24)16-8-4-7-15(11-16)25(21,22)14-5-2-1-3-6-14/h1-12H,(H,19,20)
InChIKeyUZKMJPCXBJNGLE-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.37
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide

3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide (PubChem CID 1310476) has the molecular formula C17H13ClN2O4S2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide
PubChem CID1310476
Molecular FormulaC17H13ClN2O4S2
Molecular Weight408.89 g/mol
Exact Mass408.00
IUPAC Name3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H13ClN2O4S2/c18-13-9-10-17(19-12-13)20-26(23,24)16-8-4-7-15(11-16)25(21,22)14-5-2-1-3-6-14/h1-12H,(H,19,20)
InChIKeyUZKMJPCXBJNGLE-UHFFFAOYSA-N
XLogP3.37
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide (CID 1310476) is 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide?
The InChIKey is UZKMJPCXBJNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S2/c18-13-9-10-17(19-12-13)20-26(23,24)16-8-4-7-15(11-16)25(21,22)14-5-2-1-3-6-14/h1-12H,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide?
3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide has a molecular weight of 408.89 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 1310476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).