N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid

C20H16F3N3O5S — CID 166323301

IUPACN-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NS(=O)(=O)c1cccc2cccnc12)c1ccc2c(c1)CCN2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N3O3S.C2HF3O2/c22-18(14-6-7-15-13(11-14)8-10-19-15)21-25(23,24)16-5-1-3-12-4-2-9-20-17(12)16;3-2(4,5)1(6)7/h1-7,9,11,19H,8,10H2,(H,21,22);(H,6,7)
InChIKeyFRAKYEXZSUYAOC-UHFFFAOYSA-N
MW467.43 g/mol
LogP2.95
Rot. Bonds3

About N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid

N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166323301) has the molecular formula C20H16F3N3O5S and a molecular weight of 467.43 g/mol. Its IUPAC name is N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166323301
Molecular FormulaC20H16F3N3O5S
Molecular Weight467.43 g/mol
Exact Mass467.08
IUPAC NameN-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NS(=O)(=O)c1cccc2cccnc12)c1ccc2c(c1)CCN2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N3O3S.C2HF3O2/c22-18(14-6-7-15-13(11-14)8-10-19-15)21-25(23,24)16-5-1-3-12-4-2-9-20-17(12)16;3-2(4,5)1(6)7/h1-7,9,11,19H,8,10H2,(H,21,22);(H,6,7)
InChIKeyFRAKYEXZSUYAOC-UHFFFAOYSA-N
XLogP2.95
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704526
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142404
N-(1H-indazol-7-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43712758
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
N-[(2-bromo-5-methylphenyl)methylsulfonyl]-2,3-dihydro-1H-indole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 166323269
2-(2,3-dihydro-1H-indole-5-carbonylamino)oxyacetic acid
CID 113498230
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285
3-[(2-chlorophenyl)methyl]-2-methyl-N-quinolin-8-ylsulfonylbenzimidazole-5-carboxamide
CID 18315545
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide
CID 166333595
N-(8-piperazin-1-yl-1,7-naphthyridin-6-yl)naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 67012243

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 166323301) is N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid is O=C(NS(=O)(=O)c1cccc2cccnc12)c1ccc2c(c1)CCN2.O=C(O)C(F)(F)F.
What is the InChIKey of N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FRAKYEXZSUYAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S.C2HF3O2/c22-18(14-6-7-15-13(11-14)8-10-19-15)21-25(23,24)16-5-1-3-12-4-2-9-20-17(12)16;3-2(4,5)1(6)7/h1-7,9,11,19H,8,10H2,(H,21,22);(H,6,7).
What are the key properties of N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid?
N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 467.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-ylsulfonyl-2,3-dihydro-1H-indole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166323301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).