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

C10H10ClNO2S — CID 131392401

IUPAC6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride
SMILESCCc1c(C)ccc(C#N)c1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClNO2S/c1-3-9-7(2)4-5-8(6-12)10(9)15(11,13)14/h4-5H,3H2,1-2H3
InChIKeyKBWHYTJOTPSJRT-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.36
Rot. Bonds2

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

6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride (PubChem CID 131392401) has the molecular formula C10H10ClNO2S and a molecular weight of 243.71 g/mol. Its IUPAC name is 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride
PubChem CID131392401
Molecular FormulaC10H10ClNO2S
Molecular Weight243.71 g/mol
Exact Mass243.01
IUPAC Name6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride
SMILESCCc1c(C)ccc(C#N)c1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClNO2S/c1-3-9-7(2)4-5-8(6-12)10(9)15(11,13)14/h4-5H,3H2,1-2H3
InChIKeyKBWHYTJOTPSJRT-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-(chloromethyl)-6-cyano-3-ethylbenzenesulfonyl chloride
CID 131604242
3-cyano-2-ethyl-6-sulfanylbenzenesulfonyl chloride
CID 131603467
6-(aminomethyl)-3-cyano-2-ethylbenzenesulfonyl chloride
CID 131291139
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134
2-cyano-3-ethyl-6-methylbenzenesulfonyl chloride
CID 131371747
3-cyano-6-ethyl-2-iodobenzenesulfonyl chloride
CID 131599099
2-cyano-4-ethyl-6-methylbenzenesulfonyl chloride
CID 131405476
4-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 118822348
4-cyano-2-ethyl-3-iodobenzenesulfonyl chloride
CID 131601699
2,3,4-triethylbenzonitrile
CID 22750758
2,3-dichloro-6-cyanobenzenesulfonyl chloride
CID 130785388
2,3-dibromo-6-cyanobenzenesulfonyl chloride
CID 131170016

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride?
The IUPAC name of 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride (CID 131392401) is 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride is CCc1c(C)ccc(C#N)c1S(=O)(=O)Cl.
What is the InChIKey of 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride?
The InChIKey is KBWHYTJOTPSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c1-3-9-7(2)4-5-8(6-12)10(9)15(11,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride?
6-cyano-2-ethyl-3-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 6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 131392401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).