4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide

C8H4BrF6NO2S — CID 118854582

IUPAC4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4BrF6NO2S/c9-3-1-2-4(19(16,17)18)6(8(13,14)15)5(3)7(10,11)12/h1-2H,(H2,16,17,18)
InChIKeyOZBXFJSHNZORDS-UHFFFAOYSA-N
MW372.08 g/mol
LogP3.13
Rot. Bonds1

About 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide

4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 118854582) has the molecular formula C8H4BrF6NO2S and a molecular weight of 372.08 g/mol. Its IUPAC name is 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide
PubChem CID118854582
Molecular FormulaC8H4BrF6NO2S
Molecular Weight372.08 g/mol
Exact Mass370.91
IUPAC Name4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4BrF6NO2S/c9-3-1-2-4(19(16,17)18)6(8(13,14)15)5(3)7(10,11)12/h1-2H,(H2,16,17,18)
InChIKeyOZBXFJSHNZORDS-UHFFFAOYSA-N
XLogP3.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.08
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide (CID 118854582) is 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is OZBXFJSHNZORDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF6NO2S/c9-3-1-2-4(19(16,17)18)6(8(13,14)15)5(3)7(10,11)12/h1-2H,(H2,16,17,18).
What are the key properties of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide?
4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 372.08 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118854582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).