4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide

C18H12Cl2N2O3S — CID 10069939

IUPAC4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O3S/c19-13-1-4-15(5-2-13)26(24,25)22-17-6-3-14(20)11-16(17)18(23)12-7-9-21-10-8-12/h1-11,22H
InChIKeyWPFBFGFHOYCVCW-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.42
Rot. Bonds5

About 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide

4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 10069939) has the molecular formula C18H12Cl2N2O3S and a molecular weight of 407.28 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID10069939
Molecular FormulaC18H12Cl2N2O3S
Molecular Weight407.28 g/mol
Exact Mass405.99
IUPAC Name4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O3S/c19-13-1-4-15(5-2-13)26(24,25)22-17-6-3-14(20)11-16(17)18(23)12-7-9-21-10-8-12/h1-11,22H
InChIKeyWPFBFGFHOYCVCW-UHFFFAOYSA-N
XLogP4.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]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 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide (CID 10069939) is 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is WPFBFGFHOYCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3S/c19-13-1-4-15(5-2-13)26(24,25)22-17-6-3-14(20)11-16(17)18(23)12-7-9-21-10-8-12/h1-11,22H.
What are the key properties of 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 407.28 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10069939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).