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

C11H14N4O4S2 — CID 22774819

IUPAC1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N4O4S2/c1-8-11(7-15(2)13-8)21(18,19)14-9-3-5-10(6-4-9)20(12,16)17/h3-7,14H,1-2H3,(H2,12,16,17)
InChIKeyRXHQEWSVHLIFNA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.18
Rot. Bonds4

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

1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide (PubChem CID 22774819) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
PubChem CID22774819
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H14N4O4S2/c1-8-11(7-15(2)13-8)21(18,19)14-9-3-5-10(6-4-9)20(12,16)17/h3-7,14H,1-2H3,(H2,12,16,17)
InChIKeyRXHQEWSVHLIFNA-UHFFFAOYSA-N
XLogP0.18
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17383073
N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22203398
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22773854
N-[4-(1-adamantylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22202889
N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676255
1,3-dimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
CID 17375852
3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 139292939
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 17371559
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875
4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951380

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide (CID 22774819) is 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
The InChIKey is RXHQEWSVHLIFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-8-11(7-15(2)13-8)21(18,19)14-9-3-5-10(6-4-9)20(12,16)17/h3-7,14H,1-2H3,(H2,12,16,17).
What are the key properties of 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide has a molecular weight of 330.39 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22774819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).