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

C13H16BrN3O2S — CID 57397061

IUPAC4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2S/c1-9-13(10(2)16(3)15-9)17(4)20(18,19)12-7-5-11(14)6-8-12/h5-8H,1-4H3
InChIKeyJQYCAXKJYGOWFM-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.62
Rot. Bonds3

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

4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 57397061) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID57397061
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC Name4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2S/c1-9-13(10(2)16(3)15-9)17(4)20(18,19)12-7-5-11(14)6-8-12/h5-8H,1-4H3
InChIKeyJQYCAXKJYGOWFM-UHFFFAOYSA-N
XLogP2.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-methyl-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-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 57397061) is 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is JQYCAXKJYGOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-9-13(10(2)16(3)15-9)17(4)20(18,19)12-7-5-11(14)6-8-12/h5-8H,1-4H3.
What are the key properties of 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 358.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 57397061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).