N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide

C12H6BrCl2F2NO2S — CID 112769161

IUPACN-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cc(F)cc1Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6BrCl2F2NO2S/c13-7-4-6(16)5-10(17)11(7)18-21(19,20)12-8(14)2-1-3-9(12)15/h1-5,18H
InChIKeyNTNFISCYTWMZFY-UHFFFAOYSA-N
MW417.06 g/mol
LogP4.83
Rot. Bonds3

About N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide

N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide (PubChem CID 112769161) has the molecular formula C12H6BrCl2F2NO2S and a molecular weight of 417.06 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
PubChem CID112769161
Molecular FormulaC12H6BrCl2F2NO2S
Molecular Weight417.06 g/mol
Exact Mass414.86
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cc(F)cc1Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6BrCl2F2NO2S/c13-7-4-6(16)5-10(17)11(7)18-21(19,20)12-8(14)2-1-3-9(12)15/h1-5,18H
InChIKeyNTNFISCYTWMZFY-UHFFFAOYSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.06
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
CID 60640782
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
CID 82888797
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide (CID 112769161) is N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide is O=S(=O)(Nc1c(F)cc(F)cc1Br)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is NTNFISCYTWMZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F2NO2S/c13-7-4-6(16)5-10(17)11(7)18-21(19,20)12-8(14)2-1-3-9(12)15/h1-5,18H.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide?
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide has a molecular weight of 417.06 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 112769161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).