N-(6-chloropyrazin-2-yl)butane-1-sulfonamide

C8H12ClN3O2S — CID 104821133

IUPACN-(6-chloropyrazin-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3O2S/c1-2-3-4-15(13,14)12-8-6-10-5-7(9)11-8/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeySOMKDFXLTQLBPI-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.67
Rot. Bonds5

About N-(6-chloropyrazin-2-yl)butane-1-sulfonamide

N-(6-chloropyrazin-2-yl)butane-1-sulfonamide (PubChem CID 104821133) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)butane-1-sulfonamide
PubChem CID104821133
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC NameN-(6-chloropyrazin-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3O2S/c1-2-3-4-15(13,14)12-8-6-10-5-7(9)11-8/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeySOMKDFXLTQLBPI-UHFFFAOYSA-N
XLogP1.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrazin-2-ylbutane-1-sulfonamide
CID 22772906
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-(4-chloro-2-pyridinyl)butane-1-sulfonamide
CID 104821756
6-chloro-N-propylpyrazin-2-amine
CID 26370207
N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 104821178
N-(6-chloropyrazin-2-yl)butanamide
CID 115599315
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
CID 104821637
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide
CID 43520639
2-chloro-6-propylsulfonylpyrazine
CID 177283399
N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)butane-1-sulfonamide (CID 104821133) is N-(6-chloropyrazin-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)butane-1-sulfonamide?
The InChIKey is SOMKDFXLTQLBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-2-3-4-15(13,14)12-8-6-10-5-7(9)11-8/h5-6H,2-4H2,1H3,(H,11,12).
What are the key properties of N-(6-chloropyrazin-2-yl)butane-1-sulfonamide?
N-(6-chloropyrazin-2-yl)butane-1-sulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.67, 5 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)butane-1-sulfonamide is sourced from PubChem (CID 104821133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).