4-methoxycycloheptane-1-sulfonyl chloride

C8H15ClO3S — CID 165446786

IUPAC4-methoxycycloheptane-1-sulfonyl chloride
SMILESCOC1CCCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H15ClO3S/c1-12-7-3-2-4-8(6-5-7)13(9,10)11/h7-8H,2-6H2,1H3
InChIKeyICHNHJYEIHZFCW-UHFFFAOYSA-N
MW226.72 g/mol
LogP1.90
Rot. Bonds2

About 4-methoxycycloheptane-1-sulfonyl chloride

4-methoxycycloheptane-1-sulfonyl chloride (PubChem CID 165446786) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is 4-methoxycycloheptane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxycycloheptane-1-sulfonyl chloride
PubChem CID165446786
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name4-methoxycycloheptane-1-sulfonyl chloride
SMILESCOC1CCCC(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H15ClO3S/c1-12-7-3-2-4-8(6-5-7)13(9,10)11/h7-8H,2-6H2,1H3
InChIKeyICHNHJYEIHZFCW-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycycloheptane-1-sulfonyl chloride?
The IUPAC name of 4-methoxycycloheptane-1-sulfonyl chloride (CID 165446786) is 4-methoxycycloheptane-1-sulfonyl chloride.
What is the SMILES notation for 4-methoxycycloheptane-1-sulfonyl chloride?
The canonical SMILES for 4-methoxycycloheptane-1-sulfonyl chloride is COC1CCCC(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-methoxycycloheptane-1-sulfonyl chloride?
The InChIKey is ICHNHJYEIHZFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c1-12-7-3-2-4-8(6-5-7)13(9,10)11/h7-8H,2-6H2,1H3.
What are the key properties of 4-methoxycycloheptane-1-sulfonyl chloride?
4-methoxycycloheptane-1-sulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycycloheptane-1-sulfonyl chloride is sourced from PubChem (CID 165446786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).