N-(5-chloropyrazin-2-yl)propane-1-sulfonamide

C7H10ClN3O2S — CID 90899591

IUPACN-(5-chloropyrazin-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C7H10ClN3O2S/c1-2-3-14(12,13)11-7-5-9-6(8)4-10-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyFJHRRJOJSFFWLE-UHFFFAOYSA-N
MW235.70 g/mol
LogP1.28
Rot. Bonds4

About N-(5-chloropyrazin-2-yl)propane-1-sulfonamide

N-(5-chloropyrazin-2-yl)propane-1-sulfonamide (PubChem CID 90899591) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)propane-1-sulfonamide
PubChem CID90899591
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC NameN-(5-chloropyrazin-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C7H10ClN3O2S/c1-2-3-14(12,13)11-7-5-9-6(8)4-10-7/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyFJHRRJOJSFFWLE-UHFFFAOYSA-N
XLogP1.28
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)propane-1-sulfonamide (CID 90899591) is N-(5-chloropyrazin-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)propane-1-sulfonamide?
The InChIKey is FJHRRJOJSFFWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-2-3-14(12,13)11-7-5-9-6(8)4-10-7/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of N-(5-chloropyrazin-2-yl)propane-1-sulfonamide?
N-(5-chloropyrazin-2-yl)propane-1-sulfonamide has a molecular weight of 235.70 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 90899591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).