4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

C19H13Cl2F2NO3S — CID 11797537

IUPAC4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1c(Cl)cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H13Cl2F2NO3S/c1-27-19-15(20)6-11(7-16(19)21)14-9-18(23)17(22)8-13(14)10-2-4-12(5-3-10)28(24,25)26/h2-9H,1H3,(H2,24,25,26)
InChIKeyFHVXNQKGIKQOCB-UHFFFAOYSA-N
MW444.29 g/mol
LogP5.26
Rot. Bonds4

About 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 11797537) has the molecular formula C19H13Cl2F2NO3S and a molecular weight of 444.29 g/mol. Its IUPAC name is 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID11797537
Molecular FormulaC19H13Cl2F2NO3S
Molecular Weight444.29 g/mol
Exact Mass443.00
IUPAC Name4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1c(Cl)cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C19H13Cl2F2NO3S/c1-27-19-15(20)6-11(7-16(19)21)14-9-18(23)17(22)8-13(14)10-2-4-12(5-3-10)28(24,25)26/h2-9H,1H3,(H2,24,25,26)
InChIKeyFHVXNQKGIKQOCB-UHFFFAOYSA-N
XLogP5.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.29
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 11797537) is 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is COc1c(Cl)cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is FHVXNQKGIKQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2NO3S/c1-27-19-15(20)6-11(7-16(19)21)14-9-18(23)17(22)8-13(14)10-2-4-12(5-3-10)28(24,25)26/h2-9H,1H3,(H2,24,25,26).
What are the key properties of 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 444.29 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichloro-4-methoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 11797537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).