1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

C5H8ClN3O2S — CID 63821548

IUPAC1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCl)n[nH]1
InChIInChI=1S/C5H8ClN3O2S/c1-4-2-5(8-7-4)9-12(10,11)3-6/h2H,3H2,1H3,(H2,7,8,9)
InChIKeyYXECHFMUEBQKGN-UHFFFAOYSA-N
MW209.66 g/mol
LogP0.66
Rot. Bonds3

About 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 63821548) has the molecular formula C5H8ClN3O2S and a molecular weight of 209.66 g/mol. Its IUPAC name is 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID63821548
Molecular FormulaC5H8ClN3O2S
Molecular Weight209.66 g/mol
Exact Mass209.00
IUPAC Name1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCl)n[nH]1
InChIInChI=1S/C5H8ClN3O2S/c1-4-2-5(8-7-4)9-12(10,11)3-6/h2H,3H2,1H3,(H2,7,8,9)
InChIKeyYXECHFMUEBQKGN-UHFFFAOYSA-N
XLogP0.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (CID 63821548) is 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is Cc1cc(NS(=O)(=O)CCl)n[nH]1.
What is the InChIKey of 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is YXECHFMUEBQKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3O2S/c1-4-2-5(8-7-4)9-12(10,11)3-6/h2H,3H2,1H3,(H2,7,8,9).
What are the key properties of 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 209.66 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 63821548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).