(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride

C14H13ClO4S — CID 117497786

IUPAC(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride
SMILESCc1cc2c(CS(=O)(=O)Cl)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C14H13ClO4S/c1-7-4-10-9(3)13-11(5-8(2)18-13)12(14(10)19-7)6-20(15,16)17/h4-5H,6H2,1-3H3
InChIKeyZYZNDNFXYZVORN-UHFFFAOYSA-N
MW312.77 g/mol
LogP4.17
Rot. Bonds2

About (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride

(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride (PubChem CID 117497786) has the molecular formula C14H13ClO4S and a molecular weight of 312.77 g/mol. Its IUPAC name is (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride
PubChem CID117497786
Molecular FormulaC14H13ClO4S
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride
SMILESCc1cc2c(CS(=O)(=O)Cl)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C14H13ClO4S/c1-7-4-10-9(3)13-11(5-8(2)18-13)12(14(10)19-7)6-20(15,16)17/h4-5H,6H2,1-3H3
InChIKeyZYZNDNFXYZVORN-UHFFFAOYSA-N
XLogP4.17
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride?
The IUPAC name of (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride (CID 117497786) is (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride?
The canonical SMILES for (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride is Cc1cc2c(CS(=O)(=O)Cl)c3oc(C)cc3c(C)c2o1.
What is the InChIKey of (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride?
The InChIKey is ZYZNDNFXYZVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO4S/c1-7-4-10-9(3)13-11(5-8(2)18-13)12(14(10)19-7)6-20(15,16)17/h4-5H,6H2,1-3H3.
What are the key properties of (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride?
(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride has a molecular weight of 312.77 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 117497786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).