6-chloro-2H-chromene-3-sulfonyl chloride

C9H6Cl2O3S — CID 47003560

IUPAC6-chloro-2H-chromene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C9H6Cl2O3S/c10-7-1-2-9-6(3-7)4-8(5-14-9)15(11,12)13/h1-4H,5H2
InChIKeyHAOUOEPGUNIORC-UHFFFAOYSA-N
MW265.12 g/mol
LogP2.64
Rot. Bonds1

About 6-chloro-2H-chromene-3-sulfonyl chloride

6-chloro-2H-chromene-3-sulfonyl chloride (PubChem CID 47003560) has the molecular formula C9H6Cl2O3S and a molecular weight of 265.12 g/mol. Its IUPAC name is 6-chloro-2H-chromene-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2H-chromene-3-sulfonyl chloride
PubChem CID47003560
Molecular FormulaC9H6Cl2O3S
Molecular Weight265.12 g/mol
Exact Mass263.94
IUPAC Name6-chloro-2H-chromene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C9H6Cl2O3S/c10-7-1-2-9-6(3-7)4-8(5-14-9)15(11,12)13/h1-4H,5H2
InChIKeyHAOUOEPGUNIORC-UHFFFAOYSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2H-chromene-3-sulfonyl chloride?
The IUPAC name of 6-chloro-2H-chromene-3-sulfonyl chloride (CID 47003560) is 6-chloro-2H-chromene-3-sulfonyl chloride.
What is the SMILES notation for 6-chloro-2H-chromene-3-sulfonyl chloride?
The canonical SMILES for 6-chloro-2H-chromene-3-sulfonyl chloride is O=S(=O)(Cl)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-2H-chromene-3-sulfonyl chloride?
The InChIKey is HAOUOEPGUNIORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O3S/c10-7-1-2-9-6(3-7)4-8(5-14-9)15(11,12)13/h1-4H,5H2.
What are the key properties of 6-chloro-2H-chromene-3-sulfonyl chloride?
6-chloro-2H-chromene-3-sulfonyl chloride has a molecular weight of 265.12 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2H-chromene-3-sulfonyl chloride is sourced from PubChem (CID 47003560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).