N-(3-chloropyrazin-2-yl)methanesulfonamide

C5H6ClN3O2S — CID 11229538

IUPACN-(3-chloropyrazin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nccnc1Cl
InChIInChI=1S/C5H6ClN3O2S/c1-12(10,11)9-5-4(6)7-2-3-8-5/h2-3H,1H3,(H,8,9)
InChIKeyBSTFWRUDAAZPBM-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.50
Rot. Bonds2

About N-(3-chloropyrazin-2-yl)methanesulfonamide

N-(3-chloropyrazin-2-yl)methanesulfonamide (PubChem CID 11229538) has the molecular formula C5H6ClN3O2S and a molecular weight of 207.64 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)methanesulfonamide
PubChem CID11229538
Molecular FormulaC5H6ClN3O2S
Molecular Weight207.64 g/mol
Exact Mass206.99
IUPAC NameN-(3-chloropyrazin-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nccnc1Cl
InChIInChI=1S/C5H6ClN3O2S/c1-12(10,11)9-5-4(6)7-2-3-8-5/h2-3H,1H3,(H,8,9)
InChIKeyBSTFWRUDAAZPBM-UHFFFAOYSA-N
XLogP0.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)methanesulfonamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)methanesulfonamide (CID 11229538) is N-(3-chloropyrazin-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)methanesulfonamide is CS(=O)(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)methanesulfonamide?
The InChIKey is BSTFWRUDAAZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2S/c1-12(10,11)9-5-4(6)7-2-3-8-5/h2-3H,1H3,(H,8,9).
What are the key properties of N-(3-chloropyrazin-2-yl)methanesulfonamide?
N-(3-chloropyrazin-2-yl)methanesulfonamide has a molecular weight of 207.64 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)methanesulfonamide is sourced from PubChem (CID 11229538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).