N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide

C8H8BrF2NO2S — CID 28607056

IUPACN-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide
SMILESCc1cc(NS(=O)(=O)C(F)F)ccc1Br
InChIInChI=1S/C8H8BrF2NO2S/c1-5-4-6(2-3-7(5)9)12-15(13,14)8(10)11/h2-4,8,12H,1H3
InChIKeyHNGCDXJFOPWTGM-UHFFFAOYSA-N
MW300.12 g/mol
LogP2.72
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide

N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide (PubChem CID 28607056) has the molecular formula C8H8BrF2NO2S and a molecular weight of 300.12 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide
PubChem CID28607056
Molecular FormulaC8H8BrF2NO2S
Molecular Weight300.12 g/mol
Exact Mass298.94
IUPAC NameN-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide
SMILESCc1cc(NS(=O)(=O)C(F)F)ccc1Br
InChIInChI=1S/C8H8BrF2NO2S/c1-5-4-6(2-3-7(5)9)12-15(13,14)8(10)11/h2-4,8,12H,1H3
InChIKeyHNGCDXJFOPWTGM-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide (CID 28607056) is N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide is Cc1cc(NS(=O)(=O)C(F)F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is HNGCDXJFOPWTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2S/c1-5-4-6(2-3-7(5)9)12-15(13,14)8(10)11/h2-4,8,12H,1H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide?
N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 300.12 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28607056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).