2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene

C19H13ClF2O3S — CID 67240070

IUPAC2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene
SMILESCOc1ccc(Cl)cc1-c1cc(F)c(S(=O)(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C19H13ClF2O3S/c1-25-18-8-7-13(20)11-15(18)12-9-16(21)19(17(22)10-12)26(23,24)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyGHGGPPVNKGIMNZ-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.13
Rot. Bonds4

About 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene

2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene (PubChem CID 67240070) has the molecular formula C19H13ClF2O3S and a molecular weight of 394.83 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene
PubChem CID67240070
Molecular FormulaC19H13ClF2O3S
Molecular Weight394.83 g/mol
Exact Mass394.02
IUPAC Name2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene
SMILESCOc1ccc(Cl)cc1-c1cc(F)c(S(=O)(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C19H13ClF2O3S/c1-25-18-8-7-13(20)11-15(18)12-9-16(21)19(17(22)10-12)26(23,24)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyGHGGPPVNKGIMNZ-UHFFFAOYSA-N
XLogP5.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene 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 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene?
The IUPAC name of 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene (CID 67240070) is 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene is COc1ccc(Cl)cc1-c1cc(F)c(S(=O)(=O)c2ccccc2)c(F)c1.
What is the InChIKey of 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene?
The InChIKey is GHGGPPVNKGIMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2O3S/c1-25-18-8-7-13(20)11-15(18)12-9-16(21)19(17(22)10-12)26(23,24)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene?
2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene has a molecular weight of 394.83 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(5-chloro-2-methoxyphenyl)-1,3-difluorobenzene is sourced from PubChem (CID 67240070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).