N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide

C12H16ClN3O3S — CID 86802235

IUPACN-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O3S/c13-10-7-15-11(8-14-10)16-12(17)5-6-20(18,19)9-3-1-2-4-9/h7-9H,1-6H2,(H,15,16,17)
InChIKeyGNRZBRZLGRMWFF-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.82
Rot. Bonds5

About N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide

N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide (PubChem CID 86802235) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide
PubChem CID86802235
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC NameN-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O3S/c13-10-7-15-11(8-14-10)16-12(17)5-6-20(18,19)9-3-1-2-4-9/h7-9H,1-6H2,(H,15,16,17)
InChIKeyGNRZBRZLGRMWFF-UHFFFAOYSA-N
XLogP1.82
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide (CID 86802235) is N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide?
The InChIKey is GNRZBRZLGRMWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-10-7-15-11(8-14-10)16-12(17)5-6-20(18,19)9-3-1-2-4-9/h7-9H,1-6H2,(H,15,16,17).
What are the key properties of N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide?
N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide has a molecular weight of 317.80 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-3-cyclopentylsulfonylpropanamide is sourced from PubChem (CID 86802235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).