2-cycloheptyloxy-5-methylbenzenesulfonyl chloride

C14H19ClO3S — CID 82926228

IUPAC2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OC2CCCCCC2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H19ClO3S/c1-11-8-9-13(14(10-11)19(15,16)17)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyKREYFUXFCPQHGL-UHFFFAOYSA-N
MW302.82 g/mol
LogP4.02
Rot. Bonds3

About 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride

2-cycloheptyloxy-5-methylbenzenesulfonyl chloride (PubChem CID 82926228) has the molecular formula C14H19ClO3S and a molecular weight of 302.82 g/mol. Its IUPAC name is 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
PubChem CID82926228
Molecular FormulaC14H19ClO3S
Molecular Weight302.82 g/mol
Exact Mass302.07
IUPAC Name2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OC2CCCCCC2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H19ClO3S/c1-11-8-9-13(14(10-11)19(15,16)17)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyKREYFUXFCPQHGL-UHFFFAOYSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride (CID 82926228) is 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride is Cc1ccc(OC2CCCCCC2)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride?
The InChIKey is KREYFUXFCPQHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3S/c1-11-8-9-13(14(10-11)19(15,16)17)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride?
2-cycloheptyloxy-5-methylbenzenesulfonyl chloride has a molecular weight of 302.82 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82926228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).