4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C13H11ClN4O2S — CID 75521913

IUPAC4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1
InChIInChI=1S/C13H11ClN4O2S/c1-8-5-9(2)17-13(16-8)18-21(19,20)11-3-4-12(14)10(6-11)7-15/h3-6H,1-2H3,(H,16,17,18)
InChIKeyIQEPDEINHZHOFP-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.42
Rot. Bonds3

About 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 75521913) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID75521913
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1
InChIInChI=1S/C13H11ClN4O2S/c1-8-5-9(2)17-13(16-8)18-21(19,20)11-3-4-12(14)10(6-11)7-15/h3-6H,1-2H3,(H,16,17,18)
InChIKeyIQEPDEINHZHOFP-UHFFFAOYSA-N
XLogP2.42
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)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

6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
3-chloro-4-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 104826727
3-chloro-2-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 154752634
4-[(2-cyanophenyl)methylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 23504902
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541
4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964778
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 115687718
4-chloro-3-cyano-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964777
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 75521913) is 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1.
What is the InChIKey of 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is IQEPDEINHZHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-8-5-9(2)17-13(16-8)18-21(19,20)11-3-4-12(14)10(6-11)7-15/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 75521913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).