5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene

C16H15BrO2S — CID 70208606

IUPAC5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene
SMILESO=S(=O)(Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO2S/c17-15-6-8-16(9-7-15)20(18,19)11-12-4-5-13-2-1-3-14(13)10-12/h4-10H,1-3,11H2
InChIKeyANKRXQFRDHJOAK-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.91
Rot. Bonds3

About 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene

5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene (PubChem CID 70208606) has the molecular formula C16H15BrO2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene
PubChem CID70208606
Molecular FormulaC16H15BrO2S
Molecular Weight351.27 g/mol
Exact Mass350.00
IUPAC Name5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene
SMILESO=S(=O)(Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO2S/c17-15-6-8-16(9-7-15)20(18,19)11-12-4-5-13-2-1-3-14(13)10-12/h4-10H,1-3,11H2
InChIKeyANKRXQFRDHJOAK-UHFFFAOYSA-N
XLogP3.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene;N-propylpropan-1-amine
CID 70208605
7-(benzenesulfonylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 46882673
7-[(4-tert-butylphenyl)sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 46882710
1-[(4-bromophenyl)methylsulfonyl]-4-methylbenzene
CID 2996005
6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride
CID 84709599
2-[4-[(4-bromophenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345555
3-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylsulfonyl)aniline
CID 81184275
7-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67228381
2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 79438466
1-[4-(2,3-dihydro-1H-inden-5-ylmethylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 149139139
3-chloro-2-(2,3-dihydro-1H-inden-5-ylmethylsulfonyl)aniline
CID 81185321
[4-[(4-bromophenyl)sulfonylmethyl]-3-fluorophenyl]methanamine
CID 64696775

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene (CID 70208606) is 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene is O=S(=O)(Cc1ccc2c(c1)CCC2)c1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene?
The InChIKey is ANKRXQFRDHJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2S/c17-15-6-8-16(9-7-15)20(18,19)11-12-4-5-13-2-1-3-14(13)10-12/h4-10H,1-3,11H2.
What are the key properties of 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene?
5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene has a molecular weight of 351.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 70208606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).