5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

C14H18ClN3O2S — CID 3326283

IUPAC5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c1-9-5-10(2)7-12(6-9)8-16-21(19,20)13-11(3)17-18(4)14(13)15/h5-7,16H,8H2,1-4H3
InChIKeyWMNDVEJSZSIUDZ-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 3326283) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID3326283
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c1-9-5-10(2)7-12(6-9)8-16-21(19,20)13-11(3)17-18(4)14(13)15/h5-7,16H,8H2,1-4H3
InChIKeyWMNDVEJSZSIUDZ-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 3326283) is 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1cc(C)cc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)c1.
What is the InChIKey of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is WMNDVEJSZSIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-9-5-10(2)7-12(6-9)8-16-21(19,20)13-11(3)17-18(4)14(13)15/h5-7,16H,8H2,1-4H3.
What are the key properties of 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3326283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).