4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide

C15H12Br2F3NO3S — CID 3771585

IUPAC4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C15H12Br2F3NO3S/c1-2-9-7-10(16)4-6-14(9)25(22,23)21-12-5-3-11(17)8-13(12)24-15(18,19)20/h3-8,21H,2H2,1H3
InChIKeyGPZRHNXRPAXMQD-UHFFFAOYSA-N
MW503.13 g/mol
LogP5.47
Rot. Bonds5

About 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide

4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide (PubChem CID 3771585) has the molecular formula C15H12Br2F3NO3S and a molecular weight of 503.13 g/mol. Its IUPAC name is 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide
PubChem CID3771585
Molecular FormulaC15H12Br2F3NO3S
Molecular Weight503.13 g/mol
Exact Mass500.89
IUPAC Name4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C15H12Br2F3NO3S/c1-2-9-7-10(16)4-6-14(9)25(22,23)21-12-5-3-11(17)8-13(12)24-15(18,19)20/h3-8,21H,2H2,1H3
InChIKeyGPZRHNXRPAXMQD-UHFFFAOYSA-N
XLogP5.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.13
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
4-bromo-2-(trifluoromethoxy)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855771
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-chloromethanesulfonamide
CID 103193585
4-bromo-N-(2-tert-butylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3861912
4-bromo-N-(3-methylsulfonylpropyl)-2-(trifluoromethoxy)aniline
CID 103193082
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
4-bromo-N-(3,5-dimethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3740454
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
4-bromo-N-(2-butan-2-ylphenyl)-2-ethylbenzenesulfonamide
CID 3822768
4-bromo-N-(4-butanoylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 5220861
4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide (CID 3771585) is 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide?
The InChIKey is GPZRHNXRPAXMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F3NO3S/c1-2-9-7-10(16)4-6-14(9)25(22,23)21-12-5-3-11(17)8-13(12)24-15(18,19)20/h3-8,21H,2H2,1H3.
What are the key properties of 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide?
4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide has a molecular weight of 503.13 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide is sourced from PubChem (CID 3771585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).