N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide

C7H4BrClF3NO2S — CID 107612663

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)C(F)F
InChIInChI=1S/C7H4BrClF3NO2S/c8-4-1-3(10)2-5(9)6(4)13-16(14,15)7(11)12/h1-2,7,13H
InChIKeyRWZUHGFWFHVSJN-UHFFFAOYSA-N
MW338.53 g/mol
LogP3.21
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide (PubChem CID 107612663) has the molecular formula C7H4BrClF3NO2S and a molecular weight of 338.53 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide
PubChem CID107612663
Molecular FormulaC7H4BrClF3NO2S
Molecular Weight338.53 g/mol
Exact Mass336.88
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)C(F)F
InChIInChI=1S/C7H4BrClF3NO2S/c8-4-1-3(10)2-5(9)6(4)13-16(14,15)7(11)12/h1-2,7,13H
InChIKeyRWZUHGFWFHVSJN-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide (CID 107612663) is N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide is O=S(=O)(Nc1c(Cl)cc(F)cc1Br)C(F)F.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is RWZUHGFWFHVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO2S/c8-4-1-3(10)2-5(9)6(4)13-16(14,15)7(11)12/h1-2,7,13H.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 338.53 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 107612663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).