2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

C12H14BrN3O2S — CID 75437322

IUPAC2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Br)c(S(=O)(=O)NCc2ccnn2C)c1
InChIInChI=1S/C12H14BrN3O2S/c1-9-3-4-11(13)12(7-9)19(17,18)15-8-10-5-6-14-16(10)2/h3-7,15H,8H2,1-2H3
InChIKeyAFTJYAZIYFSSEV-UHFFFAOYSA-N
MW344.23 g/mol
LogP1.97
Rot. Bonds4

About 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 75437322) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID75437322
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(Br)c(S(=O)(=O)NCc2ccnn2C)c1
InChIInChI=1S/C12H14BrN3O2S/c1-9-3-4-11(13)12(7-9)19(17,18)15-8-10-5-6-14-16(10)2/h3-7,15H,8H2,1-2H3
InChIKeyAFTJYAZIYFSSEV-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]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 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 75437322) is 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cc1ccc(Br)c(S(=O)(=O)NCc2ccnn2C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is AFTJYAZIYFSSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-9-3-4-11(13)12(7-9)19(17,18)15-8-10-5-6-14-16(10)2/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75437322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).