N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide

C7H6BrCl2NO2S — CID 60640158

IUPACN-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl2NO2S/c1-14(12,13)11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyGNJCQIKKFOXXCM-UHFFFAOYSA-N
MW319.01 g/mol
LogP3.13
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide

N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide (PubChem CID 60640158) has the molecular formula C7H6BrCl2NO2S and a molecular weight of 319.01 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
PubChem CID60640158
Molecular FormulaC7H6BrCl2NO2S
Molecular Weight319.01 g/mol
Exact Mass316.87
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl2NO2S/c1-14(12,13)11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyGNJCQIKKFOXXCM-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.01
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2,6-dichloroaniline
CID 69680
N-(4-bromo-2-chlorophenyl)methanesulfonamide
CID 22774632
N-(4-bromo-2-chlorophenyl)ethanesulfonamide
CID 17374358
N-(2-bromo-4-chloro-6-fluorophenyl)methanesulfonamide
CID 89773707
N-(2-bromo-6-chloro-4-fluorophenyl)methanesulfonamide
CID 89775133
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 43386688
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide
CID 43386689
N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide
CID 104922630
N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide
CID 104922648
N-(2-bromo-6-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 104922660
N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
CID 107095513
N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide
CID 107612663

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide (CID 60640158) is N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide is CS(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
The InChIKey is GNJCQIKKFOXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2NO2S/c1-14(12,13)11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide?
N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide has a molecular weight of 319.01 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 60640158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).