(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride

C8H7Cl2FO2S — CID 84709005

IUPAC(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(Cl)c(CS(=O)(=O)Cl)c1F
InChIInChI=1S/C8H7Cl2FO2S/c1-5-2-3-7(9)6(8(5)11)4-14(10,12)13/h2-3H,4H2,1H3
InChIKeyDSWQCUJCESBISN-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.86
Rot. Bonds2

About (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride

(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride (PubChem CID 84709005) has the molecular formula C8H7Cl2FO2S and a molecular weight of 257.11 g/mol. Its IUPAC name is (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
PubChem CID84709005
Molecular FormulaC8H7Cl2FO2S
Molecular Weight257.11 g/mol
Exact Mass255.95
IUPAC Name(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
SMILESCc1ccc(Cl)c(CS(=O)(=O)Cl)c1F
InChIInChI=1S/C8H7Cl2FO2S/c1-5-2-3-7(9)6(8(5)11)4-14(10,12)13/h2-3H,4H2,1H3
InChIKeyDSWQCUJCESBISN-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 84813942
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
(6-chloro-2-fluoro-3-methylphenyl)methanethiol
CID 86098483
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534
(2-acetamido-6-chloro-3-hydroxyphenyl)methanesulfonyl chloride
CID 117479727
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
CID 84798329

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride (CID 84709005) is (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride is Cc1ccc(Cl)c(CS(=O)(=O)Cl)c1F.
What is the InChIKey of (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is DSWQCUJCESBISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO2S/c1-5-2-3-7(9)6(8(5)11)4-14(10,12)13/h2-3H,4H2,1H3.
What are the key properties of (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride?
(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 257.11 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84709005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).