5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

C13H16ClN3O2S — CID 2805606

IUPAC5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)c(C)c1
InChIInChI=1S/C13H16ClN3O2S/c1-8-5-6-11(9(2)7-8)16-20(18,19)12-10(3)15-17(4)13(12)14/h5-7,16H,1-4H3
InChIKeyMJVUESRSLFWWKR-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 2805606) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID2805606
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)c(C)c1
InChIInChI=1S/C13H16ClN3O2S/c1-8-5-6-11(9(2)7-8)16-20(18,19)12-10(3)15-17(4)13(12)14/h5-7,16H,1-4H3
InChIKeyMJVUESRSLFWWKR-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 2805606) is 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)c(C)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is MJVUESRSLFWWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-8-5-6-11(9(2)7-8)16-20(18,19)12-10(3)15-17(4)13(12)14/h5-7,16H,1-4H3.
What are the key properties of 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 2805606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).