N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide

C7H10ClN3O2S — CID 58574105

IUPACN-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cnc(Cl)cn1
InChIInChI=1S/C7H10ClN3O2S/c1-3-14(12,13)11(2)7-5-9-6(8)4-10-7/h4-5H,3H2,1-2H3
InChIKeyYSQBSXJJXHWWQZ-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.92
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide

N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide (PubChem CID 58574105) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide
PubChem CID58574105
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC NameN-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cnc(Cl)cn1
InChIInChI=1S/C7H10ClN3O2S/c1-3-14(12,13)11(2)7-5-9-6(8)4-10-7/h4-5H,3H2,1-2H3
InChIKeyYSQBSXJJXHWWQZ-UHFFFAOYSA-N
XLogP0.92
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide (CID 58574105) is N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide?
The InChIKey is YSQBSXJJXHWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-3-14(12,13)11(2)7-5-9-6(8)4-10-7/h4-5H,3H2,1-2H3.
What are the key properties of N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide?
N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide has a molecular weight of 235.70 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 58574105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).