N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide

C21H22BrN3O2S — CID 42285003

IUPACN-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C21H22BrN3O2S/c1-15-13-17(22)11-12-19(15)24-28(26,27)20-14-25(18-9-5-6-10-18)23-21(20)16-7-3-2-4-8-16/h2-4,7-8,11-14,18,24H,5-6,9-10H2,1H3
InChIKeyJIXHMCATWOXSIW-UHFFFAOYSA-N
MW460.40 g/mol
LogP5.54
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide

N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42285003) has the molecular formula C21H22BrN3O2S and a molecular weight of 460.40 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42285003
Molecular FormulaC21H22BrN3O2S
Molecular Weight460.40 g/mol
Exact Mass459.06
IUPAC NameN-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C21H22BrN3O2S/c1-15-13-17(22)11-12-19(15)24-28(26,27)20-14-25(18-9-5-6-10-18)23-21(20)16-7-3-2-4-8-16/h2-4,7-8,11-14,18,24H,5-6,9-10H2,1H3
InChIKeyJIXHMCATWOXSIW-UHFFFAOYSA-N
XLogP5.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide 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

N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282799
1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
CID 42347151
1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285010
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 42284988
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-(4-bromo-2-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284781
1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine
CID 42285572

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide (CID 42285003) is N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is JIXHMCATWOXSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O2S/c1-15-13-17(22)11-12-19(15)24-28(26,27)20-14-25(18-9-5-6-10-18)23-21(20)16-7-3-2-4-8-16/h2-4,7-8,11-14,18,24H,5-6,9-10H2,1H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide?
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 460.40 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).