4-bromo-2-(trifluoromethoxy)benzenesulfonamide

C7H5BrF3NO3S — CID 46738066

IUPAC4-bromo-2-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO3S/c8-4-1-2-6(16(12,13)14)5(3-4)15-7(9,10)11/h1-3H,(H2,12,13,14)
InChIKeyBULOZZLPZKWYCR-UHFFFAOYSA-N
MW320.09 g/mol
LogP2.00
Rot. Bonds2

About 4-bromo-2-(trifluoromethoxy)benzenesulfonamide

4-bromo-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 46738066) has the molecular formula C7H5BrF3NO3S and a molecular weight of 320.09 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID46738066
Molecular FormulaC7H5BrF3NO3S
Molecular Weight320.09 g/mol
Exact Mass318.91
IUPAC Name4-bromo-2-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO3S/c8-4-1-2-6(16(12,13)14)5(3-4)15-7(9,10)11/h1-3H,(H2,12,13,14)
InChIKeyBULOZZLPZKWYCR-UHFFFAOYSA-N
XLogP2.00
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.09
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Trifluoromethoxy)benzenesulfonamide
CID 2777208
2-(Difluoromethoxy)benzene-1-sulfonamide
CID 13322075
4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride
CID 2736421
4-Bromo-2-(trifluoromethoxy)thiophenol
CID 2736425
5-Bromo-2-methoxybenzenesulphonamide
CID 8317967
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
4-Bromo-3-methoxybenzene-1-sulfonamide
CID 47001060
2-Bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 50998018
5-Bromo-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 53836106
3-Bromo-5-methoxybenzene-1-sulfonamide
CID 51000085
4-Bromo-5-fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 71758216
3-Bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 86811465

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-2-(trifluoromethoxy)benzenesulfonamide (CID 46738066) is 4-bromo-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BULOZZLPZKWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO3S/c8-4-1-2-6(16(12,13)14)5(3-4)15-7(9,10)11/h1-3H,(H2,12,13,14).
What are the key properties of 4-bromo-2-(trifluoromethoxy)benzenesulfonamide?
4-bromo-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 320.09 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 46738066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).