2-chloro-5-propylbenzenesulfonyl chloride

C9H10Cl2O2S — CID 112756557

IUPAC2-chloro-5-propylbenzenesulfonyl chloride
SMILESCCCc1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H10Cl2O2S/c1-2-3-7-4-5-8(10)9(6-7)14(11,12)13/h4-6H,2-3H2,1H3
InChIKeyHLQSQWXPMRSGJG-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-5-propylbenzenesulfonyl chloride

2-chloro-5-propylbenzenesulfonyl chloride (PubChem CID 112756557) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is 2-chloro-5-propylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-propylbenzenesulfonyl chloride
PubChem CID112756557
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name2-chloro-5-propylbenzenesulfonyl chloride
SMILESCCCc1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H10Cl2O2S/c1-2-3-7-4-5-8(10)9(6-7)14(11,12)13/h4-6H,2-3H2,1H3
InChIKeyHLQSQWXPMRSGJG-UHFFFAOYSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propylbenzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-propylbenzenesulfonyl chloride (CID 112756557) is 2-chloro-5-propylbenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-propylbenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-propylbenzenesulfonyl chloride is CCCc1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-chloro-5-propylbenzenesulfonyl chloride?
The InChIKey is HLQSQWXPMRSGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c1-2-3-7-4-5-8(10)9(6-7)14(11,12)13/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-5-propylbenzenesulfonyl chloride?
2-chloro-5-propylbenzenesulfonyl chloride has a molecular weight of 253.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propylbenzenesulfonyl chloride is sourced from PubChem (CID 112756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).