N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

C13H17N3O2S — CID 22773854

IUPACN-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-4-11-5-7-12(8-6-11)15-19(17,18)13-9-16(3)14-10(13)2/h5-9,15H,4H2,1-3H3
InChIKeyBPAFRWINCDIDFE-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.09
Rot. Bonds4

About N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 22773854) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID22773854
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C13H17N3O2S/c1-4-11-5-7-12(8-6-11)15-19(17,18)13-9-16(3)14-10(13)2/h5-9,15H,4H2,1-3H3
InChIKeyBPAFRWINCDIDFE-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-1,3-dimethylpyrazole-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

Related Compounds

N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22203398
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819
N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17383073
N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676255
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
N-[4-(1-adamantylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22202889
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
1,3-dimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
CID 17375852

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 22773854) is N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is CCc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is BPAFRWINCDIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-11-5-7-12(8-6-11)15-19(17,18)13-9-16(3)14-10(13)2/h5-9,15H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).