2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride

C13H9ClF2O3S — CID 63036759

IUPAC2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccccc2)c(F)c1F
InChIInChI=1S/C13H9ClF2O3S/c14-20(17,18)11-7-6-10(12(15)13(11)16)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyYXJWRBMNTUYSBP-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.47
Rot. Bonds4

About 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride

2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride (PubChem CID 63036759) has the molecular formula C13H9ClF2O3S and a molecular weight of 318.73 g/mol. Its IUPAC name is 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
PubChem CID63036759
Molecular FormulaC13H9ClF2O3S
Molecular Weight318.73 g/mol
Exact Mass317.99
IUPAC Name2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ccccc2)c(F)c1F
InChIInChI=1S/C13H9ClF2O3S/c14-20(17,18)11-7-6-10(12(15)13(11)16)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyYXJWRBMNTUYSBP-UHFFFAOYSA-N
XLogP3.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

4-phenylmethoxynaphthalene-1-sulfonyl chloride
CID 45156377
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
CID 63036597
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 63036585
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
CID 82920937
4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
CID 43247067
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride (CID 63036759) is 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ccccc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride?
The InChIKey is YXJWRBMNTUYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O3S/c14-20(17,18)11-7-6-10(12(15)13(11)16)19-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride?
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride has a molecular weight of 318.73 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride is sourced from PubChem (CID 63036759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).