3,4-diethylbenzenesulfonyl chloride

C10H13ClO2S — CID 55280892

IUPAC3,4-diethylbenzenesulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C10H13ClO2S/c1-3-8-5-6-10(14(11,12)13)7-9(8)4-2/h5-7H,3-4H2,1-2H3
InChIKeyPOFJTJWGZDPGGE-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.74
Rot. Bonds3

About 3,4-diethylbenzenesulfonyl chloride

3,4-diethylbenzenesulfonyl chloride (PubChem CID 55280892) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 3,4-diethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3,4-diethylbenzenesulfonyl chloride
PubChem CID55280892
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name3,4-diethylbenzenesulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C10H13ClO2S/c1-3-8-5-6-10(14(11,12)13)7-9(8)4-2/h5-7H,3-4H2,1-2H3
InChIKeyPOFJTJWGZDPGGE-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

p-Toluenesulfonic acid
CID 6101
2-Naphthalenesulfonic acid
CID 8420
4-Methylbenzenesulfonyl fluoride
CID 9965
Sodium Xylenesulfonate
CID 23668192
Sodium 2-naphthalenesulfonate
CID 23661868
Indane-5-sulfonamide
CID 96876
4-Toluenesulfonyl chloride
CID 7397
Methyl p-toluenesulfonate
CID 6645
4-Ethylbenzenesulfonic acid
CID 7402
Sodium 4-styrenesulfonate
CID 3571582
Ethyl p-methylbenzenesulfonate
CID 6638
4-Isopropylbenzenesulfonic acid
CID 6640

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylbenzenesulfonyl chloride?
The IUPAC name of 3,4-diethylbenzenesulfonyl chloride (CID 55280892) is 3,4-diethylbenzenesulfonyl chloride.
What is the SMILES notation for 3,4-diethylbenzenesulfonyl chloride?
The canonical SMILES for 3,4-diethylbenzenesulfonyl chloride is CCc1ccc(S(=O)(=O)Cl)cc1CC.
What is the InChIKey of 3,4-diethylbenzenesulfonyl chloride?
The InChIKey is POFJTJWGZDPGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-3-8-5-6-10(14(11,12)13)7-9(8)4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,4-diethylbenzenesulfonyl chloride?
3,4-diethylbenzenesulfonyl chloride has a molecular weight of 232.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylbenzenesulfonyl chloride is sourced from PubChem (CID 55280892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).