(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride

C8H7Cl2FO3S — CID 84713466

IUPAC(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)cc(F)c1Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-14-7-3-5(4-15(10,12)13)2-6(11)8(7)9/h2-3H,4H2,1H3
InChIKeyZQORWYYVXCQDKU-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.56
Rot. Bonds3

About (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride

(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84713466) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
PubChem CID84713466
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)cc(F)c1Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-14-7-3-5(4-15(10,12)13)2-6(11)8(7)9/h2-3H,4H2,1H3
InChIKeyZQORWYYVXCQDKU-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84805414
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
CID 84798329
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117411462
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
CID 117458194
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride (CID 84713466) is (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride is COc1cc(CS(=O)(=O)Cl)cc(F)c1Cl.
What is the InChIKey of (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is ZQORWYYVXCQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-14-7-3-5(4-15(10,12)13)2-6(11)8(7)9/h2-3H,4H2,1H3.
What are the key properties of (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride?
(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84713466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).