2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide

C12H7Cl2N3O2S — CID 104821746

IUPAC2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C12H7Cl2N3O2S/c13-9-3-4-16-12(6-9)17-20(18,19)11-5-8(7-15)1-2-10(11)14/h1-6H,(H,16,17)
InChIKeyLWPXIACATMDLTO-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide

2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide (PubChem CID 104821746) has the molecular formula C12H7Cl2N3O2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
PubChem CID104821746
Molecular FormulaC12H7Cl2N3O2S
Molecular Weight328.18 g/mol
Exact Mass326.96
IUPAC Name2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C12H7Cl2N3O2S/c13-9-3-4-16-12(6-9)17-20(18,19)11-5-8(7-15)1-2-10(11)14/h1-6H,(H,16,17)
InChIKeyLWPXIACATMDLTO-UHFFFAOYSA-N
XLogP3.06
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide 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

4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
N-(5-chloropyridin-2-yl)-4-methylbenzenesulfonamide
CID 812019
4-chloro-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 898366
N1-(2-pyridyl)-2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide
CID 2739437
((2,5-Dichlorophenyl)sulfonyl)-2-pyridylamine
CID 669153
N-(5-chloropyridin-2-yl)-3,4-dimethylbenzenesulfonamide
CID 839492
N-(5-chloropyridin-2-yl)-4-ethylbenzenesulfonamide
CID 689341
N-(5-chloropyridin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 798643
6-chloro-N-(4-methylpyridin-2-yl)pyridine-3-sulfonamide
CID 3678077
2-chloro-N-(4-methylpyridin-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 2100855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide (CID 104821746) is 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccn2)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide?
The InChIKey is LWPXIACATMDLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O2S/c13-9-3-4-16-12(6-9)17-20(18,19)11-5-8(7-15)1-2-10(11)14/h1-6H,(H,16,17).
What are the key properties of 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide?
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide has a molecular weight of 328.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide is sourced from PubChem (CID 104821746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).