N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide

C13H14ClN3O2S — CID 104821077

IUPACN-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cncc(Cl)n2)c(C)c1
InChIInChI=1S/C13H14ClN3O2S/c1-8-4-9(2)13(10(3)5-8)20(18,19)17-12-7-15-6-11(14)16-12/h4-7H,1-3H3,(H,16,17)
InChIKeyFWORKBYHEJKFQA-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.86
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide

N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 104821077) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID104821077
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cncc(Cl)n2)c(C)c1
InChIInChI=1S/C13H14ClN3O2S/c1-8-4-9(2)13(10(3)5-8)20(18,19)17-12-7-15-6-11(14)16-12/h4-7H,1-3H3,(H,16,17)
InChIKeyFWORKBYHEJKFQA-UHFFFAOYSA-N
XLogP2.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Diaminopyrazin-1-ium 2,4,6-trimethylbenzene-1-sulfonate
CID 12212510
4-methyl-N-(pyrazin-2-yl)benzenesulfonamide
CID 3627661
N-pyrazin-2-yl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 86796060
N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 57586069
N-(3-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfinamide
CID 143309718
N-(5-bromopyrazin-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 65562586
N-(5-bromopyrazin-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 65564759
3-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 75485150
N-(5-chloropyrazin-2-yl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 86807358
N-(5-chloropyrazin-2-yl)-2-fluoro-4-methylbenzenesulfonamide
CID 86807359
N-(5-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 91636041
2-fluoro-N,4-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 99802701

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide (CID 104821077) is N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cncc(Cl)n2)c(C)c1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is FWORKBYHEJKFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8-4-9(2)13(10(3)5-8)20(18,19)17-12-7-15-6-11(14)16-12/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 104821077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).