N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide

C13H14ClN3O2S — CID 104821005

IUPACN-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-9(2)10-3-5-11(6-4-10)20(18,19)17-13-8-15-7-12(14)16-13/h3-9H,1-2H3,(H,16,17)
InChIKeyCYEHCXGKUJGIBA-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.05
Rot. Bonds4

About N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide

N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 104821005) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID104821005
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-9(2)10-3-5-11(6-4-10)20(18,19)17-13-8-15-7-12(14)16-13/h3-9H,1-2H3,(H,16,17)
InChIKeyCYEHCXGKUJGIBA-UHFFFAOYSA-N
XLogP3.05
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloropyrimidin-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 86003781
N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 3376238
4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
CID 12626415
N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077
2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 113456936
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527885
2-chloro-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 104821040
N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 104821123
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide (CID 104821005) is N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cncc(Cl)n2)cc1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is CYEHCXGKUJGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9(2)10-3-5-11(6-4-10)20(18,19)17-13-8-15-7-12(14)16-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide?
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.05, 4 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)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 104821005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).