5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide

C7H12ClN3O2S — CID 1474125

IUPAC5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(C)C
InChIInChI=1S/C7H12ClN3O2S/c1-5-6(7(8)11(4)9-5)14(12,13)10(2)3/h1-4H3
InChIKeyTZEPZKWBHDLAJC-UHFFFAOYSA-N
MW237.71 g/mol
LogP0.63
Rot. Bonds2

About 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide

5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide (PubChem CID 1474125) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide
PubChem CID1474125
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC Name5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(C)C
InChIInChI=1S/C7H12ClN3O2S/c1-5-6(7(8)11(4)9-5)14(12,13)10(2)3/h1-4H3
InChIKeyTZEPZKWBHDLAJC-UHFFFAOYSA-N
XLogP0.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N,N,1,3-tetramethylpyrazole-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-N,N,1,3-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide (CID 1474125) is 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)C.
What is the InChIKey of 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide?
The InChIKey is TZEPZKWBHDLAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S/c1-5-6(7(8)11(4)9-5)14(12,13)10(2)3/h1-4H3.
What are the key properties of 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide?
5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide has a molecular weight of 237.71 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N,1,3-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 1474125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).