N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide

C8H7BrClF2NO2S — CID 104724279

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)C(F)F)cc1Cl
InChIInChI=1S/C8H7BrClF2NO2S/c1-4-2-5(9)7(3-6(4)10)13-16(14,15)8(11)12/h2-3,8,13H,1H3
InChIKeyDKYVKJPCGWJGHF-UHFFFAOYSA-N
MW334.57 g/mol
LogP3.38
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide (PubChem CID 104724279) has the molecular formula C8H7BrClF2NO2S and a molecular weight of 334.57 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
PubChem CID104724279
Molecular FormulaC8H7BrClF2NO2S
Molecular Weight334.57 g/mol
Exact Mass332.90
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)C(F)F)cc1Cl
InChIInChI=1S/C8H7BrClF2NO2S/c1-4-2-5(9)7(3-6(4)10)13-16(14,15)8(11)12/h2-3,8,13H,1H3
InChIKeyDKYVKJPCGWJGHF-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]propanoic acid
CID 113445366
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300420
N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 104724699
5-bromo-2-methyl-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 82757797

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide (CID 104724279) is N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide is Cc1cc(Br)c(NS(=O)(=O)C(F)F)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is DKYVKJPCGWJGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO2S/c1-4-2-5(9)7(3-6(4)10)13-16(14,15)8(11)12/h2-3,8,13H,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 334.57 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 104724279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).