3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide

C17H13ClN2O4S2 — CID 1087767

IUPAC3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2O4S2/c18-13-7-9-14(10-8-13)25(21,22)15-4-3-5-16(12-15)26(23,24)20-17-6-1-2-11-19-17/h1-12H,(H,19,20)
InChIKeyKTXFOOQYAWWDHD-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.37
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide

3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1087767) has the molecular formula C17H13ClN2O4S2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1087767
Molecular FormulaC17H13ClN2O4S2
Molecular Weight408.89 g/mol
Exact Mass408.00
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2O4S2/c18-13-7-9-14(10-8-13)25(21,22)15-4-3-5-16(12-15)26(23,24)20-17-6-1-2-11-19-17/h1-12H,(H,19,20)
InChIKeyKTXFOOQYAWWDHD-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide (CID 1087767) is 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is KTXFOOQYAWWDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S2/c18-13-7-9-14(10-8-13)25(21,22)15-4-3-5-16(12-15)26(23,24)20-17-6-1-2-11-19-17/h1-12H,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide?
3-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide 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-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1087767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).