1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone

C16H10F3NO3S — CID 175709241

IUPAC1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1c(S(=O)(=O)c2ccccc2)[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C16H10F3NO3S/c17-16(18,19)14(21)13-11-8-4-5-9-12(11)20-15(13)24(22,23)10-6-2-1-3-7-10/h1-9,20H
InChIKeyRBKQHYASLARPBN-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.75
Rot. Bonds3

About 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone

1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 175709241) has the molecular formula C16H10F3NO3S and a molecular weight of 353.32 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID175709241
Molecular FormulaC16H10F3NO3S
Molecular Weight353.32 g/mol
Exact Mass353.03
IUPAC Name1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1c(S(=O)(=O)c2ccccc2)[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C16H10F3NO3S/c17-16(18,19)14(21)13-11-8-4-5-9-12(11)20-15(13)24(22,23)10-6-2-1-3-7-10/h1-9,20H
InChIKeyRBKQHYASLARPBN-UHFFFAOYSA-N
XLogP3.75
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1H-indole-3-carboxamide
CID 89052526
1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
CID 67690251
1-[2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]hexan-1-one
CID 67686971
[2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate
CID 174444473
2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
CID 66917393
10H-acridine-9-thione;2,2,2-trifluoroacetic acid
CID 71410510
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole
CID 69375185
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
9H-carbazole;carbonic acid
CID 67577328
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
benzoic acid;9H-carbazole
CID 162147282
benzenesulfonylbenzene;oxalic acid
CID 67897674

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone (CID 175709241) is 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone is O=C(c1c(S(=O)(=O)c2ccccc2)[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is RBKQHYASLARPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3S/c17-16(18,19)14(21)13-11-8-4-5-9-12(11)20-15(13)24(22,23)10-6-2-1-3-7-10/h1-9,20H.
What are the key properties of 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 353.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 175709241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).