3-[(4-methylphenyl)sulfonylmethyl]-1H-indene

C17H16O2S — CID 102313877

IUPAC3-[(4-methylphenyl)sulfonylmethyl]-1H-indene
SMILESCc1ccc(S(=O)(=O)CC2=CCc3ccccc32)cc1
InChIInChI=1S/C17H16O2S/c1-13-6-10-16(11-7-13)20(18,19)12-15-9-8-14-4-2-3-5-17(14)15/h2-7,9-11H,8,12H2,1H3
InChIKeyXUCLXFMIZVNFTJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.41
Rot. Bonds3

About 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene

3-[(4-methylphenyl)sulfonylmethyl]-1H-indene (PubChem CID 102313877) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylmethyl]-1H-indene
PubChem CID102313877
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name3-[(4-methylphenyl)sulfonylmethyl]-1H-indene
SMILESCc1ccc(S(=O)(=O)CC2=CCc3ccccc32)cc1
InChIInChI=1S/C17H16O2S/c1-13-6-10-16(11-7-13)20(18,19)12-15-9-8-14-4-2-3-5-17(14)15/h2-7,9-11H,8,12H2,1H3
InChIKeyXUCLXFMIZVNFTJ-UHFFFAOYSA-N
XLogP3.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-1H-indene
CID 55301076
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
acetic acid;3H-inden-1-ylmethanol
CID 71363289
N-[2-(3H-inden-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 159479938
1-amino-4-[(4-methylphenyl)sulfonylmethyl]anthracene-9,10-dione
CID 15369749
trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane
CID 14935093
3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 158188320
3-(2-cyclopropylethyl)-1H-indene
CID 163857034
(1R,5S)-1-(3H-inden-1-yl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane
CID 134956224
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11811529
adamantane;N-[1-(3H-inden-1-yl)-4-(4-methylphenyl)-3-oxobutan-2-yl]acetamide;sulfane
CID 160880961

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene?
The IUPAC name of 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene (CID 102313877) is 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene is Cc1ccc(S(=O)(=O)CC2=CCc3ccccc32)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene?
The InChIKey is XUCLXFMIZVNFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-13-6-10-16(11-7-13)20(18,19)12-15-9-8-14-4-2-3-5-17(14)15/h2-7,9-11H,8,12H2,1H3.
What are the key properties of 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene?
3-[(4-methylphenyl)sulfonylmethyl]-1H-indene has a molecular weight of 284.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylmethyl]-1H-indene is sourced from PubChem (CID 102313877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).