4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide

C9H7BrF5NO2S — CID 165368885

IUPAC4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H7BrF5NO2S/c10-7-2-1-5(3-6(7)9(13,14)15)19(17,18)16-4-8(11)12/h1-3,8,16H,4H2
InChIKeyPRJXORHPHRZAKZ-UHFFFAOYSA-N
MW368.12 g/mol
LogP3.01
Rot. Bonds4

About 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide

4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 165368885) has the molecular formula C9H7BrF5NO2S and a molecular weight of 368.12 g/mol. Its IUPAC name is 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID165368885
Molecular FormulaC9H7BrF5NO2S
Molecular Weight368.12 g/mol
Exact Mass366.93
IUPAC Name4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H7BrF5NO2S/c10-7-2-1-5(3-6(7)9(13,14)15)19(17,18)16-4-8(11)12/h1-3,8,16H,4H2
InChIKeyPRJXORHPHRZAKZ-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.12
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
4-bromo-N-[(3-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 98000551
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000566
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
4-bromo-N-[(3-methylphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 98000683
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide
CID 67975871
3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
CID 79090939
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 165368885) is 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC(F)F)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PRJXORHPHRZAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF5NO2S/c10-7-2-1-5(3-6(7)9(13,14)15)19(17,18)16-4-8(11)12/h1-3,8,16H,4H2.
What are the key properties of 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 368.12 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 165368885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).