4-chloro-N-pyridin-4-ylbenzenesulfonamide

C11H9ClN2O2S — CID 674932

IUPAC4-chloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)
InChIKeyXREIWXALDBVKJI-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.54
Rot. Bonds3

About 4-chloro-N-pyridin-4-ylbenzenesulfonamide

4-chloro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 674932) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID674932
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name4-chloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)
InChIKeyXREIWXALDBVKJI-UHFFFAOYSA-N
XLogP2.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-pyridin-4-ylbenzenesulfonamide (CID 674932) is 4-chloro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-pyridin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is XREIWXALDBVKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-10-5-7-13-8-6-10/h1-8H,(H,13,14).
What are the key properties of 4-chloro-N-pyridin-4-ylbenzenesulfonamide?
4-chloro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 268.73 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 674932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).