3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide

C13H9BrClF2NO2S — CID 106612798

IUPAC3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc1F
InChIInChI=1S/C13H9BrClF2NO2S/c1-7-4-12(17)13(6-11(7)16)18-21(19,20)8-2-3-10(15)9(14)5-8/h2-6,18H,1H3
InChIKeySBJMRBXDABDCCJ-UHFFFAOYSA-N
MW396.64 g/mol
LogP4.49
Rot. Bonds3

About 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide

3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 106612798) has the molecular formula C13H9BrClF2NO2S and a molecular weight of 396.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
PubChem CID106612798
Molecular FormulaC13H9BrClF2NO2S
Molecular Weight396.64 g/mol
Exact Mass394.92
IUPAC Name3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc1F
InChIInChI=1S/C13H9BrClF2NO2S/c1-7-4-12(17)13(6-11(7)16)18-21(19,20)8-2-3-10(15)9(14)5-8/h2-6,18H,1H3
InChIKeySBJMRBXDABDCCJ-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.64
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605012
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 106606177
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide (CID 106612798) is 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide is Cc1cc(F)c(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc1F.
What is the InChIKey of 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is SBJMRBXDABDCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2NO2S/c1-7-4-12(17)13(6-11(7)16)18-21(19,20)8-2-3-10(15)9(14)5-8/h2-6,18H,1H3.
What are the key properties of 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide?
3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 396.64 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106612798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).