2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride

C12H15ClO3S — CID 84713994

IUPAC2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
SMILESCOc1cc2c(cc1CCS(=O)(=O)Cl)CCC2
InChIInChI=1S/C12H15ClO3S/c1-16-12-8-10-4-2-3-9(10)7-11(12)5-6-17(13,14)15/h7-8H,2-6H2,1H3
InChIKeyDKWXXFYRWKFTEQ-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.30
Rot. Bonds4

About 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride

2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride (PubChem CID 84713994) has the molecular formula C12H15ClO3S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
PubChem CID84713994
Molecular FormulaC12H15ClO3S
Molecular Weight274.77 g/mol
Exact Mass274.04
IUPAC Name2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
SMILESCOc1cc2c(cc1CCS(=O)(=O)Cl)CCC2
InChIInChI=1S/C12H15ClO3S/c1-16-12-8-10-4-2-3-9(10)7-11(12)5-6-17(13,14)15/h7-8H,2-6H2,1H3
InChIKeyDKWXXFYRWKFTEQ-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
CID 84710861
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
2-(2-methoxy-4-methylphenyl)ethanesulfonyl chloride
CID 83726090
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 117340504
2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711712
(3S)-N-[2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 51505280
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550
3-methoxy-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonyl chloride
CID 43118917
1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117339388
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
5-ethyl-6-(fluoromethyl)-2,3-dihydro-1H-indene
CID 170343572
1-[(3R,4R)-4-hydroxy-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134706006

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride (CID 84713994) is 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride is COc1cc2c(cc1CCS(=O)(=O)Cl)CCC2.
What is the InChIKey of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride?
The InChIKey is DKWXXFYRWKFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3S/c1-16-12-8-10-4-2-3-9(10)7-11(12)5-6-17(13,14)15/h7-8H,2-6H2,1H3.
What are the key properties of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride?
2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride has a molecular weight of 274.77 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84713994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).