2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide

C15H18BrN3O2S — CID 71850734

IUPAC2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide
SMILESCC(C)Cc1cc(NS(=O)(=O)C=Cc2ccccc2Br)n[nH]1
InChIInChI=1S/C15H18BrN3O2S/c1-11(2)9-13-10-15(18-17-13)19-22(20,21)8-7-12-5-3-4-6-14(12)16/h3-8,10-11H,9H2,1-2H3,(H2,17,18,19)
InChIKeyLXYXYEOUCGDYJL-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide

2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide (PubChem CID 71850734) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide
PubChem CID71850734
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide
SMILESCC(C)Cc1cc(NS(=O)(=O)C=Cc2ccccc2Br)n[nH]1
InChIInChI=1S/C15H18BrN3O2S/c1-11(2)9-13-10-15(18-17-13)19-22(20,21)8-7-12-5-3-4-6-14(12)16/h3-8,10-11H,9H2,1-2H3,(H2,17,18,19)
InChIKeyLXYXYEOUCGDYJL-UHFFFAOYSA-N
XLogP3.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide 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-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide?
The IUPAC name of 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide (CID 71850734) is 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide is CC(C)Cc1cc(NS(=O)(=O)C=Cc2ccccc2Br)n[nH]1.
What is the InChIKey of 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide?
The InChIKey is LXYXYEOUCGDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-11(2)9-13-10-15(18-17-13)19-22(20,21)8-7-12-5-3-4-6-14(12)16/h3-8,10-11H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide?
2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethenesulfonamide is sourced from PubChem (CID 71850734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).