4-(3-chloro-4-fluorophenoxy)benzenesulfonamide

C12H9ClFNO3S — CID 43342694

IUPAC4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyXBWNRHYUEDLQBP-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.92
Rot. Bonds3

About 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide

4-(3-chloro-4-fluorophenoxy)benzenesulfonamide (PubChem CID 43342694) has the molecular formula C12H9ClFNO3S and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
PubChem CID43342694
Molecular FormulaC12H9ClFNO3S
Molecular Weight301.73 g/mol
Exact Mass301.00
IUPAC Name4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyXBWNRHYUEDLQBP-UHFFFAOYSA-N
XLogP2.92
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide (CID 43342694) is 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
The InChIKey is XBWNRHYUEDLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17).
What are the key properties of 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide?
4-(3-chloro-4-fluorophenoxy)benzenesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 43342694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).