3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide

C11H8Cl2N2O2S — CID 839468

IUPAC3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S/c12-10-2-1-9(7-11(10)13)18(16,17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15)
InChIKeyHAZVYZQYPNFTGM-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.19
Rot. Bonds3

About 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide

3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 839468) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID839468
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O2S/c12-10-2-1-9(7-11(10)13)18(16,17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15)
InChIKeyHAZVYZQYPNFTGM-UHFFFAOYSA-N
XLogP3.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide 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 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide (CID 839468) is 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccncc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is HAZVYZQYPNFTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c12-10-2-1-9(7-11(10)13)18(16,17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15).
What are the key properties of 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide?
3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 303.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 839468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).