6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride

C11H10Cl2O3S — CID 47003571

IUPAC6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride
SMILESCc1cc2c(c(C)c1Cl)C=C(S(=O)(=O)Cl)CO2
InChIInChI=1S/C11H10Cl2O3S/c1-6-3-10-9(7(2)11(6)12)4-8(5-16-10)17(13,14)15/h3-4H,5H2,1-2H3
InChIKeyKXFQZPAZSIZMSV-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.26
Rot. Bonds1

About 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride

6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride (PubChem CID 47003571) has the molecular formula C11H10Cl2O3S and a molecular weight of 293.17 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride
PubChem CID47003571
Molecular FormulaC11H10Cl2O3S
Molecular Weight293.17 g/mol
Exact Mass291.97
IUPAC Name6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride
SMILESCc1cc2c(c(C)c1Cl)C=C(S(=O)(=O)Cl)CO2
InChIInChI=1S/C11H10Cl2O3S/c1-6-3-10-9(7(2)11(6)12)4-8(5-16-10)17(13,14)15/h3-4H,5H2,1-2H3
InChIKeyKXFQZPAZSIZMSV-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride?
The IUPAC name of 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride (CID 47003571) is 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride.
What is the SMILES notation for 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride?
The canonical SMILES for 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride is Cc1cc2c(c(C)c1Cl)C=C(S(=O)(=O)Cl)CO2.
What is the InChIKey of 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride?
The InChIKey is KXFQZPAZSIZMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O3S/c1-6-3-10-9(7(2)11(6)12)4-8(5-16-10)17(13,14)15/h3-4H,5H2,1-2H3.
What are the key properties of 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride?
6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride has a molecular weight of 293.17 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 6-chloro-5,7-dimethyl-2H-chromene-3-sulfonyl chloride is sourced from PubChem (CID 47003571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).