3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide

C13H11ClFNO3S — CID 122521335

IUPAC3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1c(Oc2cc(F)cc(Cl)c2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H11ClFNO3S/c1-8-12(3-2-4-13(8)20(16,17)18)19-11-6-9(14)5-10(15)7-11/h2-7H,1H3,(H2,16,17,18)
InChIKeyNSFRGKMEKFFHDA-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.23
Rot. Bonds3

About 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide

3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide (PubChem CID 122521335) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide
PubChem CID122521335
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1c(Oc2cc(F)cc(Cl)c2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H11ClFNO3S/c1-8-12(3-2-4-13(8)20(16,17)18)19-11-6-9(14)5-10(15)7-11/h2-7H,1H3,(H2,16,17,18)
InChIKeyNSFRGKMEKFFHDA-UHFFFAOYSA-N
XLogP3.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide (CID 122521335) is 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide is Cc1c(Oc2cc(F)cc(Cl)c2)cccc1S(N)(=O)=O.
What is the InChIKey of 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide?
The InChIKey is NSFRGKMEKFFHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-8-12(3-2-4-13(8)20(16,17)18)19-11-6-9(14)5-10(15)7-11/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide?
3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenoxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 122521335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).