(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride

C8H7ClF2O3S — CID 84805414

IUPAC(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)cc(F)c1F
InChIInChI=1S/C8H7ClF2O3S/c1-14-7-3-5(4-15(9,12)13)2-6(10)8(7)11/h2-3H,4H2,1H3
InChIKeyQTWKCAMZFYQXQT-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.04
Rot. Bonds3

About (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride

(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84805414) has the molecular formula C8H7ClF2O3S and a molecular weight of 256.66 g/mol. Its IUPAC name is (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
PubChem CID84805414
Molecular FormulaC8H7ClF2O3S
Molecular Weight256.66 g/mol
Exact Mass255.98
IUPAC Name(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)cc(F)c1F
InChIInChI=1S/C8H7ClF2O3S/c1-14-7-3-5(4-15(9,12)13)2-6(10)8(7)11/h2-3H,4H2,1H3
InChIKeyQTWKCAMZFYQXQT-UHFFFAOYSA-N
XLogP2.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-difluoro-5-methoxyphenyl)methanesulfonyl 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-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
(3,4-difluoro-5-methoxyphenyl)methyl methanesulfonate
CID 118962022
(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
CID 84798329
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117411462
[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
CID 117458194
(3,4-difluoro-5-methoxyphenyl) methanesulfonate
CID 88541920
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride (CID 84805414) is (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride is COc1cc(CS(=O)(=O)Cl)cc(F)c1F.
What is the InChIKey of (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is QTWKCAMZFYQXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O3S/c1-14-7-3-5(4-15(9,12)13)2-6(10)8(7)11/h2-3H,4H2,1H3.
What are the key properties of (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride?
(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84805414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).