N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide

C13H9BrCl2FNO2S — CID 105400255

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(F)ccc2Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FNO2S/c1-7-4-9(14)12(6-11(7)16)18-21(19,20)13-5-8(17)2-3-10(13)15/h2-6,18H,1H3
InChIKeyMMAVWRAGFNQBAH-UHFFFAOYSA-N
MW413.10 g/mol
LogP5.00
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400255) has the molecular formula C13H9BrCl2FNO2S and a molecular weight of 413.10 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400255
Molecular FormulaC13H9BrCl2FNO2S
Molecular Weight413.10 g/mol
Exact Mass410.89
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(F)ccc2Cl)cc1Cl
InChIInChI=1S/C13H9BrCl2FNO2S/c1-7-4-9(14)12(6-11(7)16)18-21(19,20)13-5-8(17)2-3-10(13)15/h2-6,18H,1H3
InChIKeyMMAVWRAGFNQBAH-UHFFFAOYSA-N
XLogP5.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.10
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
5-amino-4-bromo-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 114625024
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105400255) is N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cc(F)ccc2Cl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is MMAVWRAGFNQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FNO2S/c1-7-4-9(14)12(6-11(7)16)18-21(19,20)13-5-8(17)2-3-10(13)15/h2-6,18H,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 413.10 g/mol, XLogP of 5.00, 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)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).