4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide

C13H15BrClN3O2S — CID 55735040

IUPAC4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Br)cc1Cl)Cn1cccn1
InChIInChI=1S/C13H15BrClN3O2S/c1-10(9-18-6-2-5-16-18)8-17-21(19,20)13-4-3-11(14)7-12(13)15/h2-7,10,17H,8-9H2,1H3
InChIKeyXLPHHHFIRORWDO-UHFFFAOYSA-N
MW392.71 g/mol
LogP2.91
Rot. Bonds6

About 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide (PubChem CID 55735040) has the molecular formula C13H15BrClN3O2S and a molecular weight of 392.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
PubChem CID55735040
Molecular FormulaC13H15BrClN3O2S
Molecular Weight392.71 g/mol
Exact Mass390.98
IUPAC Name4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Br)cc1Cl)Cn1cccn1
InChIInChI=1S/C13H15BrClN3O2S/c1-10(9-18-6-2-5-16-18)8-17-21(19,20)13-4-3-11(14)7-12(13)15/h2-7,10,17H,8-9H2,1H3
InChIKeyXLPHHHFIRORWDO-UHFFFAOYSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
CID 94024873
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
CID 86870409
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 55735458
4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
CID 114298824
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 82774489
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide (CID 55735040) is 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(Br)cc1Cl)Cn1cccn1.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is XLPHHHFIRORWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2S/c1-10(9-18-6-2-5-16-18)8-17-21(19,20)13-4-3-11(14)7-12(13)15/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 392.71 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 55735040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).