3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide

C11H14N4O4S2 — CID 154091858

IUPAC3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1S(N)(=O)=O
InChIInChI=1S/C11H14N4O4S2/c1-7-11(21(13,18)19)8(2)15(14-7)9-3-5-10(6-4-9)20(12,16)17/h3-6H,1-2H3,(H2,12,16,17)(H2,13,18,19)
InChIKeyRHXISLLUIQQAMX-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.22
Rot. Bonds3

About 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide

3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide (PubChem CID 154091858) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
PubChem CID154091858
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1S(N)(=O)=O
InChIInChI=1S/C11H14N4O4S2/c1-7-11(21(13,18)19)8(2)15(14-7)9-3-5-10(6-4-9)20(12,16)17/h3-6H,1-2H3,(H2,12,16,17)(H2,13,18,19)
InChIKeyRHXISLLUIQQAMX-UHFFFAOYSA-N
XLogP-0.22
TPSA138.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide (CID 154091858) is 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1S(N)(=O)=O.
What is the InChIKey of 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
The InChIKey is RHXISLLUIQQAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-7-11(21(13,18)19)8(2)15(14-7)9-3-5-10(6-4-9)20(12,16)17/h3-6H,1-2H3,(H2,12,16,17)(H2,13,18,19).
What are the key properties of 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide has a molecular weight of 330.39 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 154091858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).