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

C19H18FN5O3S — CID 8588134

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone
SMILESC[C@@H]1Cc2cc(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C19H18FN5O3S/c1-12-9-15-10-14(5-8-17(15)25(12)29(2,27)28)18(26)11-24-22-19(21-23-24)13-3-6-16(20)7-4-13/h3-8,10,12H,9,11H2,1-2H3/t12-/m1/s1
InChIKeyLFEQZYBQVWPXQD-GFCCVEGCSA-N
MW415.45 g/mol
LogP2.07
Rot. Bonds5

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

2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone (PubChem CID 8588134) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone
PubChem CID8588134
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone
SMILESC[C@@H]1Cc2cc(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C19H18FN5O3S/c1-12-9-15-10-14(5-8-17(15)25(12)29(2,27)28)18(26)11-24-22-19(21-23-24)13-3-6-16(20)7-4-13/h3-8,10,12H,9,11H2,1-2H3/t12-/m1/s1
InChIKeyLFEQZYBQVWPXQD-GFCCVEGCSA-N
XLogP2.07
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
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

Analyze 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone with MolForge

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Related Compounds

1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7561237
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207273
[2-(3-fluorophenyl)-2-oxoethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8677189
2-methyl-1-methylsulfonyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 86970996
1-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7489523
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42962154
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 25379677
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 87029983
2-oxopropyl (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9063978
[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 97306411

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone (CID 8588134) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone is C[C@@H]1Cc2cc(C(=O)Cn3nnc(-c4ccc(F)cc4)n3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is LFEQZYBQVWPXQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-12-9-15-10-14(5-8-17(15)25(12)29(2,27)28)18(26)11-24-22-19(21-23-24)13-3-6-16(20)7-4-13/h3-8,10,12H,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 415.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 8588134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).