2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride

C10H10ClNO2S — CID 131371747

IUPAC2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride
SMILESCCc1ccc(C)c(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C10H10ClNO2S/c1-3-8-5-4-7(2)10(9(8)6-12)15(11,13)14/h4-5H,3H2,1-2H3
InChIKeyBEECLURTIYYKRE-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.36
Rot. Bonds2

About 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride

2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride (PubChem CID 131371747) has the molecular formula C10H10ClNO2S and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride
PubChem CID131371747
Molecular FormulaC10H10ClNO2S
Molecular Weight243.71 g/mol
Exact Mass243.01
IUPAC Name2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride
SMILESCCc1ccc(C)c(S(=O)(=O)Cl)c1C#N
InChIInChI=1S/C10H10ClNO2S/c1-3-8-5-4-7(2)10(9(8)6-12)15(11,13)14/h4-5H,3H2,1-2H3
InChIKeyBEECLURTIYYKRE-UHFFFAOYSA-N
XLogP2.36
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-(hydroxymethyl)-6-methylbenzenesulfonyl chloride
CID 131599578
2-cyano-3-ethyl-6-formylbenzenesulfonyl chloride
CID 131610534
2-cyano-3-(difluoromethyl)-6-methylbenzenesulfonyl chloride
CID 131485072
6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride
CID 131392401
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134
2-cyano-4-ethyl-3-hydroxybenzenesulfonyl chloride
CID 131619507
3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride
CID 131302281
3-cyano-6-ethyl-2-iodobenzenesulfonyl chloride
CID 131599099
2-(chloromethyl)-6-cyano-3-ethylbenzenesulfonyl chloride
CID 131604242
3-(bromomethyl)-2-cyano-4-ethylbenzenesulfonyl chloride
CID 131466813
3-chloro-6-(chloromethyl)-2-cyanobenzenesulfonyl chloride
CID 131523688
6-(aminomethyl)-3-cyano-2-ethylbenzenesulfonyl chloride
CID 131291139

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride?
The IUPAC name of 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride (CID 131371747) is 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride is CCc1ccc(C)c(S(=O)(=O)Cl)c1C#N.
What is the InChIKey of 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride?
The InChIKey is BEECLURTIYYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c1-3-8-5-4-7(2)10(9(8)6-12)15(11,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride?
2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride has a molecular weight of 243.71 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride is sourced from PubChem (CID 131371747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).