N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide

C6H10ClN3O2S — CID 22208836

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3O2S/c1-13(11,12)9-2-3-10-5-6(7)4-8-10/h4-5,9H,2-3H2,1H3
InChIKeyLNJRTQZQIVHWAA-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.09
Rot. Bonds4

About N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide

N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 22208836) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID22208836
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3O2S/c1-13(11,12)9-2-3-10-5-6(7)4-8-10/h4-5,9H,2-3H2,1H3
InChIKeyLNJRTQZQIVHWAA-UHFFFAOYSA-N
XLogP0.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide (CID 22208836) is N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is LNJRTQZQIVHWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2S/c1-13(11,12)9-2-3-10-5-6(7)4-8-10/h4-5,9H,2-3H2,1H3.
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 223.68 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 22208836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).