5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene

C18H20O2S — CID 58929230

IUPAC5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene
SMILESCCc1ccccc1S(=O)(=O)c1ccc2c(c1)CCC2C
InChIInChI=1S/C18H20O2S/c1-3-14-6-4-5-7-18(14)21(19,20)16-10-11-17-13(2)8-9-15(17)12-16/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyWIIVPSKIPLEKJN-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.13
Rot. Bonds3

About 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene

5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene (PubChem CID 58929230) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene
PubChem CID58929230
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene
SMILESCCc1ccccc1S(=O)(=O)c1ccc2c(c1)CCC2C
InChIInChI=1S/C18H20O2S/c1-3-14-6-4-5-7-18(14)21(19,20)16-10-11-17-13(2)8-9-15(17)12-16/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyWIIVPSKIPLEKJN-UHFFFAOYSA-N
XLogP4.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene (CID 58929230) is 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene is CCc1ccccc1S(=O)(=O)c1ccc2c(c1)CCC2C.
What is the InChIKey of 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is WIIVPSKIPLEKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-3-14-6-4-5-7-18(14)21(19,20)16-10-11-17-13(2)8-9-15(17)12-16/h4-7,10-13H,3,8-9H2,1-2H3.
What are the key properties of 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene?
5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 300.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)sulfonyl-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 58929230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).