2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide

C13H9BrClF2NO2S — CID 82888797

IUPAC2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C13H9BrClF2NO2S/c1-7-2-3-12(9(14)4-7)21(19,20)18-13-10(15)5-8(16)6-11(13)17/h2-6,18H,1H3
InChIKeySMYMYFRDPSHGPD-UHFFFAOYSA-N
MW396.64 g/mol
LogP4.49
Rot. Bonds3

About 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide

2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 82888797) has the molecular formula C13H9BrClF2NO2S and a molecular weight of 396.64 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
PubChem CID82888797
Molecular FormulaC13H9BrClF2NO2S
Molecular Weight396.64 g/mol
Exact Mass394.92
IUPAC Name2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C13H9BrClF2NO2S/c1-7-2-3-12(9(14)4-7)21(19,20)18-13-10(15)5-8(16)6-11(13)17/h2-6,18H,1H3
InChIKeySMYMYFRDPSHGPD-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

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
4-bromo-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzenesulfonamide
CID 82886303
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
2-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)benzenesulfonamide
CID 83072869
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
2-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 103878560
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide (CID 82888797) is 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is SMYMYFRDPSHGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2NO2S/c1-7-2-3-12(9(14)4-7)21(19,20)18-13-10(15)5-8(16)6-11(13)17/h2-6,18H,1H3.
What are the key properties of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide?
2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide 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 2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 82888797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).