3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride

C15H15ClO2S — CID 87181195

IUPAC3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1-c1ccccc1C
InChIInChI=1S/C15H15ClO2S/c1-3-12-10-13(19(16,17)18)8-9-15(12)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3
InChIKeyJICMXXXAJWZGLO-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.15
Rot. Bonds3

About 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride

3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride (PubChem CID 87181195) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
PubChem CID87181195
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1-c1ccccc1C
InChIInChI=1S/C15H15ClO2S/c1-3-12-10-13(19(16,17)18)8-9-15(12)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3
InChIKeyJICMXXXAJWZGLO-UHFFFAOYSA-N
XLogP4.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride (CID 87181195) is 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride is CCc1cc(S(=O)(=O)Cl)ccc1-c1ccccc1C.
What is the InChIKey of 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride?
The InChIKey is JICMXXXAJWZGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-3-12-10-13(19(16,17)18)8-9-15(12)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride?
3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride has a molecular weight of 294.80 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 87181195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).