N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H11BrFN3O2S — CID 103223919

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H11BrFN3O2S/c1-6-3-9(13)8(12)4-10(6)16-19(17,18)11-5-14-15-7(11)2/h3-5,16H,1-2H3,(H,14,15)
InChIKeyJXIDIDLHCNMDIA-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.73
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 103223919) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID103223919
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H11BrFN3O2S/c1-6-3-9(13)8(12)4-10(6)16-19(17,18)11-5-14-15-7(11)2/h3-5,16H,1-2H3,(H,14,15)
InChIKeyJXIDIDLHCNMDIA-UHFFFAOYSA-N
XLogP2.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912107
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590884
2-amino-4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590903
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275948

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 103223919) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JXIDIDLHCNMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-6-3-9(13)8(12)4-10(6)16-19(17,18)11-5-14-15-7(11)2/h3-5,16H,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 348.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103223919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).