N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide

C11H9BrF3N3O2S — CID 2807661

IUPACN-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCn1cc(Br)c(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3O2S/c1-18-6-8(12)10(16-18)17-21(19,20)9-5-3-2-4-7(9)11(13,14)15/h2-6H,1H3,(H,16,17)
InChIKeyMRPJQLACGCCPGY-UHFFFAOYSA-N
MW384.18 g/mol
LogP3.00
Rot. Bonds3

About N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2807661) has the molecular formula C11H9BrF3N3O2S and a molecular weight of 384.18 g/mol. Its IUPAC name is N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2807661
Molecular FormulaC11H9BrF3N3O2S
Molecular Weight384.18 g/mol
Exact Mass382.96
IUPAC NameN-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCn1cc(Br)c(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3O2S/c1-18-6-8(12)10(16-18)17-21(19,20)9-5-3-2-4-7(9)11(13,14)15/h2-6H,1H3,(H,16,17)
InChIKeyMRPJQLACGCCPGY-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)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

N-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzene-1-sulfonamide
CID 5014150
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3564237
{4-Bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl}(methylsulfonyl)amine
CID 22206597
N-[4-bromo-1-(4-methylbenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 22206690
N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide
CID 35275075
2-fluoro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 53597597
2,4-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-5-methylbenzenesulfonamide
CID 71973923
N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide
CID 75376208
2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
CID 75381653
N-[1-(3-cyanopropyl)pyrazol-3-yl]-2,5-difluoro-4-methylbenzenesulfonamide
CID 75381654
N-[1-(2-cyanoethyl)pyrazol-3-yl]-2,5-difluoro-4-methylbenzenesulfonamide
CID 84587593

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 2807661) is N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide is Cn1cc(Br)c(NS(=O)(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MRPJQLACGCCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O2S/c1-18-6-8(12)10(16-18)17-21(19,20)9-5-3-2-4-7(9)11(13,14)15/h2-6H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2807661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).