4-oxo-2,3-dihydrochromene-6-sulfonyl chloride

C9H7ClO4S — CID 22500934

IUPAC4-oxo-2,3-dihydrochromene-6-sulfonyl chloride
SMILESO=C1CCOc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C9H7ClO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2
InChIKeyUDHJEOIBCQHSND-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.58
Rot. Bonds1

About 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride

4-oxo-2,3-dihydrochromene-6-sulfonyl chloride (PubChem CID 22500934) has the molecular formula C9H7ClO4S and a molecular weight of 246.67 g/mol. Its IUPAC name is 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride.

Molecular Properties

Compound Name4-oxo-2,3-dihydrochromene-6-sulfonyl chloride
PubChem CID22500934
Molecular FormulaC9H7ClO4S
Molecular Weight246.67 g/mol
Exact Mass245.98
IUPAC Name4-oxo-2,3-dihydrochromene-6-sulfonyl chloride
SMILESO=C1CCOc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C9H7ClO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2
InChIKeyUDHJEOIBCQHSND-UHFFFAOYSA-N
XLogP1.58
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Chromanone
CID 68110
Ethyl 5-sulphamoyl-o-anisate
CID 118391
4H-1-Benzopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-6-(methylthio)-, (E)-
CID 6449192
3-Formyl-4-methoxybenzene-1-sulfonyl chloride
CID 22007190
5-Chlorosulphonyl-2-anisic acid
CID 104007
5-(Chlorosulfonyl)-2-(hexadecyloxy)benzoic acid
CID 3482397
2-Vinylchroman-4-one
CID 11378785
3-Methylenechroman4-one
CID 11805055
3-Fluorochroman-4-one
CID 21636548
5-Fluorosulfonyl-2-(hexadecyloxy)benzoyl chloride
CID 4655387
Methyl 5-(chlorosulfonyl)-2-ethoxybenzoate
CID 18785123
2-Methoxy-5-(methylsulfonyl)benzaldehyde
CID 18938974

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride?
The IUPAC name of 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride (CID 22500934) is 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride.
What is the SMILES notation for 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride?
The canonical SMILES for 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride is O=C1CCOc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride?
The InChIKey is UDHJEOIBCQHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2.
What are the key properties of 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride?
4-oxo-2,3-dihydrochromene-6-sulfonyl chloride has a molecular weight of 246.67 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride is sourced from PubChem (CID 22500934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).