4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide

C13H11BrFNO3S — CID 43436555

IUPAC4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ccc(F)cc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C13H11BrFNO3S/c1-8-6-10(3-5-13(8)20(16,17)18)19-12-4-2-9(15)7-11(12)14/h2-7H,1H3,(H2,16,17,18)
InChIKeyPBEGUSPEAFWUKG-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.34
Rot. Bonds3

About 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide

4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide (PubChem CID 43436555) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
PubChem CID43436555
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC Name4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(Oc2ccc(F)cc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C13H11BrFNO3S/c1-8-6-10(3-5-13(8)20(16,17)18)19-12-4-2-9(15)7-11(12)14/h2-7H,1H3,(H2,16,17,18)
InChIKeyPBEGUSPEAFWUKG-UHFFFAOYSA-N
XLogP3.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
(2-bromo-4-fluorophenyl) sulfamate
CID 130674788
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
2-bromo-1-(4-fluorophenoxy)-4-(methylsulfonylmethyl)benzene
CID 139341597
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
CID 43436544
4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide
CID 43436560
2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
CID 79467354
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide (CID 43436555) is 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide is Cc1cc(Oc2ccc(F)cc2Br)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide?
The InChIKey is PBEGUSPEAFWUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c1-8-6-10(3-5-13(8)20(16,17)18)19-12-4-2-9(15)7-11(12)14/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide?
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43436555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).