2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide

C11H9Cl2N3O2S — CID 103278221

IUPAC2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(Cl)cn2)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-7-2-3-9(8(12)4-7)19(17,18)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeyYCWVDBCYCIHDCZ-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide

2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 103278221) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
PubChem CID103278221
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(Cl)cn2)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c1-7-2-3-9(8(12)4-7)19(17,18)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeyYCWVDBCYCIHDCZ-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-methylbenzenesulfonamide
CID 113456936
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
N-(5-chloropyrazin-2-yl)-2,5-dimethylfuran-3-sulfonamide
CID 86807360
N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide
CID 103278280
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 107596007
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389570
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide (CID 103278221) is 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc(Cl)cn2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is YCWVDBCYCIHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c1-7-2-3-9(8(12)4-7)19(17,18)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide?
2-chloro-N-(5-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-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 103278221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).