N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide

C13H10BrClFNO2S — CID 115610711

IUPACN-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-8-2-3-9(14)6-12(8)17-20(18,19)13-7-10(16)4-5-11(13)15/h2-7,17H,1H3
InChIKeyDFPIATFJTZVZLK-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.35
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide

N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 115610711) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID115610711
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC NameN-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-8-2-3-9(14)6-12(8)17-20(18,19)13-7-10(16)4-5-11(13)15/h2-7,17H,1H3
InChIKeyDFPIATFJTZVZLK-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 115610711) is N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is DFPIATFJTZVZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-8-2-3-9(14)6-12(8)17-20(18,19)13-7-10(16)4-5-11(13)15/h2-7,17H,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115610711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).