N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide

C13H17N3O2S — CID 1090946

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C13H17N3O2S/c1-4-16-11(3)13(10(2)14-16)15-19(17,18)12-8-6-5-7-9-12/h5-9,15H,4H2,1-3H3
InChIKeyFCYZCAPRIQDTQM-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.32
Rot. Bonds4

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 1090946) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID1090946
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C13H17N3O2S/c1-4-16-11(3)13(10(2)14-16)15-19(17,18)12-8-6-5-7-9-12/h5-9,15H,4H2,1-3H3
InChIKeyFCYZCAPRIQDTQM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide (CID 1090946) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide is CCn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is FCYZCAPRIQDTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-16-11(3)13(10(2)14-16)15-19(17,18)12-8-6-5-7-9-12/h5-9,15H,4H2,1-3H3.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 1090946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).