3-bromo-5-(fluoromethyl)benzenesulfonamide

C7H7BrFNO2S — CID 67059048

IUPAC3-bromo-5-(fluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(CF)c1
InChIInChI=1S/C7H7BrFNO2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyGUORWCBWGFRCGA-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.57
Rot. Bonds2

About 3-bromo-5-(fluoromethyl)benzenesulfonamide

3-bromo-5-(fluoromethyl)benzenesulfonamide (PubChem CID 67059048) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-5-(fluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-(fluoromethyl)benzenesulfonamide
PubChem CID67059048
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name3-bromo-5-(fluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(CF)c1
InChIInChI=1S/C7H7BrFNO2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyGUORWCBWGFRCGA-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(fluoromethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-5-(fluoromethyl)benzenesulfonamide (CID 67059048) is 3-bromo-5-(fluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-(fluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-5-(fluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(CF)c1.
What is the InChIKey of 3-bromo-5-(fluoromethyl)benzenesulfonamide?
The InChIKey is GUORWCBWGFRCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 3-bromo-5-(fluoromethyl)benzenesulfonamide?
3-bromo-5-(fluoromethyl)benzenesulfonamide has a molecular weight of 268.11 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(fluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67059048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).