N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide

C7H5BrClF2NO2S — CID 81274111

IUPACN-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)C(F)F
InChIInChI=1S/C7H5BrClF2NO2S/c8-5-2-1-4(9)3-6(5)12-15(13,14)7(10)11/h1-3,7,12H
InChIKeyCDJPUDDUXGXTAN-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.07
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide

N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide (PubChem CID 81274111) has the molecular formula C7H5BrClF2NO2S and a molecular weight of 320.54 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide
PubChem CID81274111
Molecular FormulaC7H5BrClF2NO2S
Molecular Weight320.54 g/mol
Exact Mass318.89
IUPAC NameN-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Br)C(F)F
InChIInChI=1S/C7H5BrClF2NO2S/c8-5-2-1-4(9)3-6(5)12-15(13,14)7(10)11/h1-3,7,12H
InChIKeyCDJPUDDUXGXTAN-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide (CID 81274111) is N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Br)C(F)F.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is CDJPUDDUXGXTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO2S/c8-5-2-1-4(9)3-6(5)12-15(13,14)7(10)11/h1-3,7,12H.
What are the key properties of N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide?
N-(2-bromo-5-chlorophenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 320.54 g/mol, XLogP of 3.07, 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-chlorophenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 81274111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).