4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C13H17N3O3S — CID 3810310

IUPAC4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16(3)14-9)15-20(17,18)12-7-5-11(19-4)6-8-12/h5-8,15H,1-4H3
InChIKeyNJHUHSPHJNFTCY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds4

About 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3810310) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3810310
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16(3)14-9)15-20(17,18)12-7-5-11(19-4)6-8-12/h5-8,15H,1-4H3
InChIKeyNJHUHSPHJNFTCY-UHFFFAOYSA-N
XLogP1.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-(1,3,5-trimethylpyrazol-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-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3810310) is 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is NJHUHSPHJNFTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-13(10(2)16(3)14-9)15-20(17,18)12-7-5-11(19-4)6-8-12/h5-8,15H,1-4H3.
What are the key properties of 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3810310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).