2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide

C8H4BrF6NO2S — CID 134623910

IUPAC2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrF6NO2S/c9-5-3(7(10,11)12)1-2-4(8(13,14)15)6(5)19(16,17)18/h1-2H,(H2,16,17,18)
InChIKeyKYDQJSZDKSYXNH-UHFFFAOYSA-N
MW372.08 g/mol
LogP3.13
Rot. Bonds1

About 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide

2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 134623910) has the molecular formula C8H4BrF6NO2S and a molecular weight of 372.08 g/mol. Its IUPAC name is 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
PubChem CID134623910
Molecular FormulaC8H4BrF6NO2S
Molecular Weight372.08 g/mol
Exact Mass370.91
IUPAC Name2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrF6NO2S/c9-5-3(7(10,11)12)1-2-4(8(13,14)15)6(5)19(16,17)18/h1-2H,(H2,16,17,18)
InChIKeyKYDQJSZDKSYXNH-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 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide (CID 134623910) is 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is KYDQJSZDKSYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF6NO2S/c9-5-3(7(10,11)12)1-2-4(8(13,14)15)6(5)19(16,17)18/h1-2H,(H2,16,17,18).
What are the key properties of 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide?
2-bromo-3,6-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 2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134623910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).