2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide

C13H10BrF2NO2S — CID 26951704

IUPAC2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-3-2-4-10(5-8)17-20(18,19)13-11(14)6-9(15)7-12(13)16/h2-7,17H,1H3
InChIKeyQIDPPLAJIZVVSG-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 26951704) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
PubChem CID26951704
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C13H10BrF2NO2S/c1-8-3-2-4-10(5-8)17-20(18,19)13-11(14)6-9(15)7-12(13)16/h2-7,17H,1H3
InChIKeyQIDPPLAJIZVVSG-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4,6-difluoro-N-(3-methylphenyl)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

2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzenesulfonamide
CID 20703904
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
2-bromo-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4,6-difluorobenzenesulfonamide
CID 25335046
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79044269
N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 25342623
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775763
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25342673
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide (CID 26951704) is 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is QIDPPLAJIZVVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-3-2-4-10(5-8)17-20(18,19)13-11(14)6-9(15)7-12(13)16/h2-7,17H,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26951704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).