N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H7BrF5NO3S — CID 21065087

IUPACN-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cc(Br)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H7BrF5NO3S/c14-7-5-10(15)12(11(16)6-7)20-24(21,22)9-3-1-8(2-4-9)23-13(17,18)19/h1-6,20H
InChIKeyQMSWHUUQFMKUDJ-UHFFFAOYSA-N
MW432.16 g/mol
LogP4.43
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 21065087) has the molecular formula C13H7BrF5NO3S and a molecular weight of 432.16 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID21065087
Molecular FormulaC13H7BrF5NO3S
Molecular Weight432.16 g/mol
Exact Mass430.93
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cc(Br)cc1F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H7BrF5NO3S/c14-7-5-10(15)12(11(16)6-7)20-24(21,22)9-3-1-8(2-4-9)23-13(17,18)19/h1-6,20H
InChIKeyQMSWHUUQFMKUDJ-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.16
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169370617
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154653153
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 63822968
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 21065087) is N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1c(F)cc(Br)cc1F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QMSWHUUQFMKUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF5NO3S/c14-7-5-10(15)12(11(16)6-7)20-24(21,22)9-3-1-8(2-4-9)23-13(17,18)19/h1-6,20H.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 432.16 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 21065087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).