4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide

C14H18BrN3O2S — CID 58561190

IUPAC4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide
SMILESCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O2S/c1-4-5-13-14(10(2)18(3)16-13)17-21(19,20)12-8-6-11(15)7-9-12/h6-9,17H,4-5H2,1-3H3
InChIKeyLZJUEYNZAAZMEH-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.24
Rot. Bonds5

About 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide

4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561190) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561190
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC Name4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide
SMILESCCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O2S/c1-4-5-13-14(10(2)18(3)16-13)17-21(19,20)12-8-6-11(15)7-9-12/h6-9,17H,4-5H2,1-3H3
InChIKeyLZJUEYNZAAZMEH-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-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-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide (CID 58561190) is 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide is CCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is LZJUEYNZAAZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-4-5-13-14(10(2)18(3)16-13)17-21(19,20)12-8-6-11(15)7-9-12/h6-9,17H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide?
4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 372.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,5-dimethyl-3-propylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).