2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide

C11H9Cl2N3O2S — CID 113456936

IUPAC2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(Cl)n2)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-7-2-3-9(8(12)4-7)19(17,18)16-11-6-14-5-10(13)15-11/h2-6H,1H3,(H,15,16)
InChIKeyIAKCNTOCLXUPHM-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide

2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 113456936) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
PubChem CID113456936
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(Cl)n2)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-7-2-3-9(8(12)4-7)19(17,18)16-11-6-14-5-10(13)15-11/h2-6H,1H3,(H,15,16)
InChIKeyIAKCNTOCLXUPHM-UHFFFAOYSA-N
XLogP2.89
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 104821040
2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221
N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 113456932
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 104821123
2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028876
5-chloro-N-(6-chloropyrazin-2-yl)-4-methylthiophene-2-sulfonamide
CID 103100875
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 104821005
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide (CID 113456936) is 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cncc(Cl)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is IAKCNTOCLXUPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c1-7-2-3-9(8(12)4-7)19(17,18)16-11-6-14-5-10(13)15-11/h2-6H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 318.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 113456936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).