2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride

C14H19ClO3S — CID 87338396

IUPAC2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride
SMILESCc1cc2c(c(C)c1C)CC(S(=O)(=O)Cl)C(C)(C)O2
InChIInChI=1S/C14H19ClO3S/c1-8-6-12-11(10(3)9(8)2)7-13(19(15,16)17)14(4,5)18-12/h6,13H,7H2,1-5H3
InChIKeySSTQYWVGTMSWJK-UHFFFAOYSA-N
MW302.82 g/mol
LogP3.26
Rot. Bonds1

About 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride

2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride (PubChem CID 87338396) has the molecular formula C14H19ClO3S and a molecular weight of 302.82 g/mol. Its IUPAC name is 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride.

Molecular Properties

Compound Name2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride
PubChem CID87338396
Molecular FormulaC14H19ClO3S
Molecular Weight302.82 g/mol
Exact Mass302.07
IUPAC Name2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride
SMILESCc1cc2c(c(C)c1C)CC(S(=O)(=O)Cl)C(C)(C)O2
InChIInChI=1S/C14H19ClO3S/c1-8-6-12-11(10(3)9(8)2)7-13(19(15,16)17)14(4,5)18-12/h6,13H,7H2,1-5H3
InChIKeySSTQYWVGTMSWJK-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride?
The IUPAC name of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride (CID 87338396) is 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride.
What is the SMILES notation for 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride?
The canonical SMILES for 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride is Cc1cc2c(c(C)c1C)CC(S(=O)(=O)Cl)C(C)(C)O2.
What is the InChIKey of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride?
The InChIKey is SSTQYWVGTMSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3S/c1-8-6-12-11(10(3)9(8)2)7-13(19(15,16)17)14(4,5)18-12/h6,13H,7H2,1-5H3.
What are the key properties of 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride?
2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride has a molecular weight of 302.82 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6,7-pentamethyl-3,4-dihydrochromene-3-sulfonyl chloride is sourced from PubChem (CID 87338396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).