2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C10H8BrF2N3O2S — CID 113237176

IUPAC2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H8BrF2N3O2S/c1-5-4-14-15-10(5)16-19(17,18)9-7(11)2-6(12)3-8(9)13/h2-4H,1H3,(H2,14,15,16)
InChIKeyMAJKXXJUPUOAHN-UHFFFAOYSA-N
MW352.16 g/mol
LogP2.56
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 113237176) has the molecular formula C10H8BrF2N3O2S and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID113237176
Molecular FormulaC10H8BrF2N3O2S
Molecular Weight352.16 g/mol
Exact Mass350.95
IUPAC Name2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H8BrF2N3O2S/c1-5-4-14-15-10(5)16-19(17,18)9-7(11)2-6(12)3-8(9)13/h2-4H,1H3,(H2,14,15,16)
InChIKeyMAJKXXJUPUOAHN-UHFFFAOYSA-N
XLogP2.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 113237176) is 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is MAJKXXJUPUOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O2S/c1-5-4-14-15-10(5)16-19(17,18)9-7(11)2-6(12)3-8(9)13/h2-4H,1H3,(H2,14,15,16).
What are the key properties of 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 352.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 113237176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).