4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide

C16H12ClN3O2S — CID 11566395

IUPAC4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccncc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-14-1-3-16(4-2-14)23(21,22)20-15-9-13(10-19-11-15)12-5-7-18-8-6-12/h1-11,20H
InChIKeyONULTRGMWHEFPN-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide

4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 11566395) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
PubChem CID11566395
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccncc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2S/c17-14-1-3-16(4-2-14)23(21,22)20-15-9-13(10-19-11-15)12-5-7-18-8-6-12/h1-11,20H
InChIKeyONULTRGMWHEFPN-UHFFFAOYSA-N
XLogP3.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(5-pyridin-4-yl-3-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

Related Compounds

N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 42623384
4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860013
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714521
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 52936735
N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910418
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
4-chloro-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 91164605
N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
CID 107575174
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
5-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 20959980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide (CID 11566395) is 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccncc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is ONULTRGMWHEFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-14-1-3-16(4-2-14)23(21,22)20-15-9-13(10-19-11-15)12-5-7-18-8-6-12/h1-11,20H.
What are the key properties of 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 345.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 11566395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).