(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride

C9H10Cl2O2S — CID 84707894

IUPAC(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cc(Cl)cc(CS(=O)(=O)Cl)c1C
InChIInChI=1S/C9H10Cl2O2S/c1-6-3-9(10)4-8(7(6)2)5-14(11,12)13/h3-4H,5H2,1-2H3
InChIKeyHSVBOKDJLIJHNK-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.03
Rot. Bonds2

About (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride

(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride (PubChem CID 84707894) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
PubChem CID84707894
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cc(Cl)cc(CS(=O)(=O)Cl)c1C
InChIInChI=1S/C9H10Cl2O2S/c1-6-3-9(10)4-8(7(6)2)5-14(11,12)13/h3-4H,5H2,1-2H3
InChIKeyHSVBOKDJLIJHNK-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
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4-chloro-2-ethyl-6-methylaniline
CID 3018019
(5-chloro-2-iodophenyl)methanesulfonyl chloride
CID 130841670
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
CID 84798329
(3-methyl-4-pyridinyl)methanesulfonyl chloride
CID 130516221
(2-hydroxy-3,5-dimethylphenyl)methanesulfonyl chloride
CID 117341424
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
4-chloro-2,6-diethylaniline
CID 14348967
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride (CID 84707894) is (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride is Cc1cc(Cl)cc(CS(=O)(=O)Cl)c1C.
What is the InChIKey of (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride?
The InChIKey is HSVBOKDJLIJHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c1-6-3-9(10)4-8(7(6)2)5-14(11,12)13/h3-4H,5H2,1-2H3.
What are the key properties of (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride?
(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride has a molecular weight of 253.15 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84707894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).