2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide

C13H10Cl2FNO3S — CID 43342563

IUPAC2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H10Cl2FNO3S/c14-10-6-13(21(17,18)19)11(15)5-12(10)20-7-8-1-3-9(16)4-2-8/h1-6H,7H2,(H2,17,18,19)
InChIKeyWKZYTVLXZSGJEY-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.36
Rot. Bonds4

About 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide

2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide (PubChem CID 43342563) has the molecular formula C13H10Cl2FNO3S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide
PubChem CID43342563
Molecular FormulaC13H10Cl2FNO3S
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H10Cl2FNO3S/c14-10-6-13(21(17,18)19)11(15)5-12(10)20-7-8-1-3-9(16)4-2-8/h1-6H,7H2,(H2,17,18,19)
InChIKeyWKZYTVLXZSGJEY-UHFFFAOYSA-N
XLogP3.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide (CID 43342563) is 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(OCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is WKZYTVLXZSGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO3S/c14-10-6-13(21(17,18)19)11(15)5-12(10)20-7-8-1-3-9(16)4-2-8/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 43342563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).