5-chloro-1,3-dimethylpyrazole-4-sulfonamide

C5H8ClN3O2S — CID 1486209

IUPAC5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(N)(=O)=O
InChIInChI=1S/C5H8ClN3O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3,(H2,7,10,11)
InChIKeyNYDANSQFEDVGJL-UHFFFAOYSA-N
MW209.66 g/mol
LogP0.03
Rot. Bonds1

About 5-chloro-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 1486209) has the molecular formula C5H8ClN3O2S and a molecular weight of 209.66 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID1486209
Molecular FormulaC5H8ClN3O2S
Molecular Weight209.66 g/mol
Exact Mass209.00
IUPAC Name5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(N)(=O)=O
InChIInChI=1S/C5H8ClN3O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3,(H2,7,10,11)
InChIKeyNYDANSQFEDVGJL-UHFFFAOYSA-N
XLogP0.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1,3-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethylpyrazole-4-sulfonamide (CID 1486209) is 5-chloro-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(N)(=O)=O.
What is the InChIKey of 5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is NYDANSQFEDVGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3,(H2,7,10,11).
What are the key properties of 5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 209.66 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 1486209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).