2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride

C16H23ClO3S — CID 65004081

IUPAC2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride
SMILESCCC(CC)(COc1ccc2c(c1)CCC2)CS(=O)(=O)Cl
InChIInChI=1S/C16H23ClO3S/c1-3-16(4-2,12-21(17,18)19)11-20-15-9-8-13-6-5-7-14(13)10-15/h8-10H,3-7,11-12H2,1-2H3
InChIKeyZGRIDPZAYRGCQN-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.93
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride

2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride (PubChem CID 65004081) has the molecular formula C16H23ClO3S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride
PubChem CID65004081
Molecular FormulaC16H23ClO3S
Molecular Weight330.88 g/mol
Exact Mass330.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride
SMILESCCC(CC)(COc1ccc2c(c1)CCC2)CS(=O)(=O)Cl
InChIInChI=1S/C16H23ClO3S/c1-3-16(4-2,12-21(17,18)19)11-20-15-9-8-13-6-5-7-14(13)10-15/h8-10H,3-7,11-12H2,1-2H3
InChIKeyZGRIDPZAYRGCQN-UHFFFAOYSA-N
XLogP3.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid
CID 92922769
2-[(2,5-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 64998973
2-[(2,4-dibromophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 65003988
5-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2,3-dihydro-1H-indene
CID 64998596
N,2,2-trimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 79628455
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide
CID 107171159
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride (CID 65004081) is 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride is CCC(CC)(COc1ccc2c(c1)CCC2)CS(=O)(=O)Cl.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
The InChIKey is ZGRIDPZAYRGCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3S/c1-3-16(4-2,12-21(17,18)19)11-20-15-9-8-13-6-5-7-14(13)10-15/h8-10H,3-7,11-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride has a molecular weight of 330.88 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride is sourced from PubChem (CID 65004081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).