1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone

C19H18FN5O3S — CID 7561237

IUPAC1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCCS(=O)(=O)N1CCc2cc(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C19H18FN5O3S/c1-2-29(27,28)24-10-9-14-11-15(5-8-17(14)24)18(26)12-25-22-19(21-23-25)13-3-6-16(20)7-4-13/h3-8,11H,2,9-10,12H2,1H3
InChIKeyAHDAOXSTWZEPLI-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.07
Rot. Bonds6

About 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone

1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone (PubChem CID 7561237) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
PubChem CID7561237
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
SMILESCCS(=O)(=O)N1CCc2cc(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C19H18FN5O3S/c1-2-29(27,28)24-10-9-14-11-15(5-8-17(14)24)18(26)12-25-22-19(21-23-25)13-3-6-16(20)7-4-13/h3-8,11H,2,9-10,12H2,1H3
InChIKeyAHDAOXSTWZEPLI-UHFFFAOYSA-N
XLogP2.07
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 8586992
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 8588134
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8517688
1-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7489523
3-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 55481016
1-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 35416687
1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 7680365
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 30822735
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone
CID 7680243
5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9484477
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone (CID 7561237) is 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone is CCS(=O)(=O)N1CCc2cc(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)ccc21.
What is the InChIKey of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
The InChIKey is AHDAOXSTWZEPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-2-29(27,28)24-10-9-14-11-15(5-8-17(14)24)18(26)12-25-22-19(21-23-25)13-3-6-16(20)7-4-13/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone?
1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone has a molecular weight of 415.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 7561237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).