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

C14H17N3O3S — CID 3862719

IUPAC4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-14(10(2)17(4)15-9)16-21(19,20)13-7-5-12(6-8-13)11(3)18/h5-8,16H,1-4H3
InChIKeyMMXLEVZJONKLRG-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.04
Rot. Bonds4

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

4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3862719) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3862719
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-9-14(10(2)17(4)15-9)16-21(19,20)13-7-5-12(6-8-13)11(3)18/h5-8,16H,1-4H3
InChIKeyMMXLEVZJONKLRG-UHFFFAOYSA-N
XLogP2.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-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-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3862719) is 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is MMXLEVZJONKLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-14(10(2)17(4)15-9)16-21(19,20)13-7-5-12(6-8-13)11(3)18/h5-8,16H,1-4H3.
What are the key properties of 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3862719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).