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

C15H21N3O3S — CID 4089495

IUPAC4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(C)nn(CC)c2C)cc1
InChIInChI=1S/C15H21N3O3S/c1-5-18-12(4)15(11(3)16-18)17-22(19,20)14-9-7-13(8-10-14)21-6-2/h7-10,17H,5-6H2,1-4H3
InChIKeyWDSFPBQBWNLYMX-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.72
Rot. Bonds6

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

4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 4089495) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID4089495
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(C)nn(CC)c2C)cc1
InChIInChI=1S/C15H21N3O3S/c1-5-18-12(4)15(11(3)16-18)17-22(19,20)14-9-7-13(8-10-14)21-6-2/h7-10,17H,5-6H2,1-4H3
InChIKeyWDSFPBQBWNLYMX-UHFFFAOYSA-N
XLogP2.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-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 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide (CID 4089495) is 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2c(C)nn(CC)c2C)cc1.
What is the InChIKey of 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is WDSFPBQBWNLYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-5-18-12(4)15(11(3)16-18)17-22(19,20)14-9-7-13(8-10-14)21-6-2/h7-10,17H,5-6H2,1-4H3.
What are the key properties of 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide?
4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 4089495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).