3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride

C11H11ClO4S — CID 43118917

IUPAC3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride
SMILESCOc1cc2c(cc1S(=O)(=O)Cl)C(=O)CCC2
InChIInChI=1S/C11H11ClO4S/c1-16-10-5-7-3-2-4-9(13)8(7)6-11(10)17(12,14)15/h5-6H,2-4H2,1H3
InChIKeyNBOYQSOADWAITJ-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.14
Rot. Bonds2

About 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride

3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride (PubChem CID 43118917) has the molecular formula C11H11ClO4S and a molecular weight of 274.72 g/mol. Its IUPAC name is 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride
PubChem CID43118917
Molecular FormulaC11H11ClO4S
Molecular Weight274.72 g/mol
Exact Mass274.01
IUPAC Name3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride
SMILESCOc1cc2c(cc1S(=O)(=O)Cl)C(=O)CCC2
InChIInChI=1S/C11H11ClO4S/c1-16-10-5-7-3-2-4-9(13)8(7)6-11(10)17(12,14)15/h5-6H,2-4H2,1H3
InChIKeyNBOYQSOADWAITJ-UHFFFAOYSA-N
XLogP2.14
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 121429782
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495029
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one
CID 10037229
6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10084070
7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297419
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride
CID 13179810
2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
CID 84713994
5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride?
The IUPAC name of 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride (CID 43118917) is 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride.
What is the SMILES notation for 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride?
The canonical SMILES for 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride is COc1cc2c(cc1S(=O)(=O)Cl)C(=O)CCC2.
What is the InChIKey of 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride?
The InChIKey is NBOYQSOADWAITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4S/c1-16-10-5-7-3-2-4-9(13)8(7)6-11(10)17(12,14)15/h5-6H,2-4H2,1H3.
What are the key properties of 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride?
3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride has a molecular weight of 274.72 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride is sourced from PubChem (CID 43118917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).