methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran

C13H15ClO3S — CID 91589984

IUPACmethanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
SMILESCS(=O)(=O)Cl.c1ccc2c3c(oc2c1)CCCC3
InChIInChI=1S/C12H12O.CH3ClO2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-5(2,3)4/h1,3,5,7H,2,4,6,8H2;1H3
InChIKeyLQIUCSFVVLNSPV-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.50
Rot. Bonds

About methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran

methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran (PubChem CID 91589984) has the molecular formula C13H15ClO3S and a molecular weight of 286.78 g/mol. Its IUPAC name is methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran.

Molecular Properties

Compound Namemethanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
PubChem CID91589984
Molecular FormulaC13H15ClO3S
Molecular Weight286.78 g/mol
Exact Mass286.04
IUPAC Namemethanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
SMILESCS(=O)(=O)Cl.c1ccc2c3c(oc2c1)CCCC3
InChIInChI=1S/C12H12O.CH3ClO2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-5(2,3)4/h1,3,5,7H,2,4,6,8H2;1H3
InChIKeyLQIUCSFVVLNSPV-UHFFFAOYSA-N
XLogP3.50
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran?
The IUPAC name of methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran (CID 91589984) is methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran.
What is the SMILES notation for methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran?
The canonical SMILES for methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran is CS(=O)(=O)Cl.c1ccc2c3c(oc2c1)CCCC3.
What is the InChIKey of methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran?
The InChIKey is LQIUCSFVVLNSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.CH3ClO2S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-5(2,3)4/h1,3,5,7H,2,4,6,8H2;1H3.
What are the key properties of methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran?
methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran has a molecular weight of 286.78 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran is sourced from PubChem (CID 91589984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).