(2-bromo-4-fluorophenyl) sulfamate

C6H5BrFNO3S — CID 130674788

IUPAC(2-bromo-4-fluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(F)cc1Br
InChIInChI=1S/C6H5BrFNO3S/c7-5-3-4(8)1-2-6(5)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyXCBOHMGGVQSGGC-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.17
Rot. Bonds2

About (2-bromo-4-fluorophenyl) sulfamate

(2-bromo-4-fluorophenyl) sulfamate (PubChem CID 130674788) has the molecular formula C6H5BrFNO3S and a molecular weight of 270.08 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl) sulfamate.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl) sulfamate
PubChem CID130674788
Molecular FormulaC6H5BrFNO3S
Molecular Weight270.08 g/mol
Exact Mass268.92
IUPAC Name(2-bromo-4-fluorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(F)cc1Br
InChIInChI=1S/C6H5BrFNO3S/c7-5-3-4(8)1-2-6(5)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyXCBOHMGGVQSGGC-UHFFFAOYSA-N
XLogP1.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl) sulfamate
CID 23161084
(2-bromo-4-phenylphenyl) sulfamate
CID 23508489
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
bis(2-bromo-4-fluorophenyl) benzene-1,4-dicarboxylate
CID 91742491
4-[2-(2-bromo-4-fluorophenoxy)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 39601918
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl) sulfamate?
The IUPAC name of (2-bromo-4-fluorophenyl) sulfamate (CID 130674788) is (2-bromo-4-fluorophenyl) sulfamate.
What is the SMILES notation for (2-bromo-4-fluorophenyl) sulfamate?
The canonical SMILES for (2-bromo-4-fluorophenyl) sulfamate is NS(=O)(=O)Oc1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl) sulfamate?
The InChIKey is XCBOHMGGVQSGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO3S/c7-5-3-4(8)1-2-6(5)12-13(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of (2-bromo-4-fluorophenyl) sulfamate?
(2-bromo-4-fluorophenyl) sulfamate has a molecular weight of 270.08 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl) sulfamate is sourced from PubChem (CID 130674788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).