(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride

C8H6Cl2F2O3S — CID 117469959

IUPAC(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)cc(F)c(Cl)c1F
InChIInChI=1S/C8H6Cl2F2O3S/c1-15-8-4(3-16(10,13)14)2-5(11)6(9)7(8)12/h2H,3H2,1H3
InChIKeyVMYYPZVGXYBACB-UHFFFAOYSA-N
MW291.10 g/mol
LogP2.70
Rot. Bonds3

About (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride

(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 117469959) has the molecular formula C8H6Cl2F2O3S and a molecular weight of 291.10 g/mol. Its IUPAC name is (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID117469959
Molecular FormulaC8H6Cl2F2O3S
Molecular Weight291.10 g/mol
Exact Mass289.94
IUPAC Name(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(CS(=O)(=O)Cl)cc(F)c(Cl)c1F
InChIInChI=1S/C8H6Cl2F2O3S/c1-15-8-4(3-16(10,13)14)2-5(11)6(9)7(8)12/h2H,3H2,1H3
InChIKeyVMYYPZVGXYBACB-UHFFFAOYSA-N
XLogP2.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3,5-difluoro-2-methoxyphenyl)-N-methoxymethanamine
CID 117347914
(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 117425080
3-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117416062
(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
CID 117418267
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660
(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
(3,5-difluoro-2-hydroxy-6-methoxyphenyl)methanesulfonyl chloride
CID 117434256
[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117475353
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride (CID 117469959) is (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride is COc1c(CS(=O)(=O)Cl)cc(F)c(Cl)c1F.
What is the InChIKey of (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is VMYYPZVGXYBACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2O3S/c1-15-8-4(3-16(10,13)14)2-5(11)6(9)7(8)12/h2H,3H2,1H3.
What are the key properties of (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride?
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 291.10 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117469959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).