N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C19H19F3N2O3S — CID 132664033

IUPACN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C(=O)N1CCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H19F3N2O3S/c1-13(18(25)23-11-10-14-6-3-4-9-17(14)23)24(28(2,26)27)16-8-5-7-15(12-16)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyXRGRLWNZBSRPRV-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 132664033) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID132664033
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC NameN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C(=O)N1CCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C19H19F3N2O3S/c1-13(18(25)23-11-10-14-6-3-4-9-17(14)23)24(28(2,26)27)16-8-5-7-15(12-16)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyXRGRLWNZBSRPRV-UHFFFAOYSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 132654483
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 95196405
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2083158
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 132668310
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)propanamide
CID 132673780
N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide
CID 132662896
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
CID 1163329
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 100581894
1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 133285179
N-(3-chloro-4-fluorophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]methanesulfonamide
CID 132667564
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95196387
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 132664033) is N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is CC(C(=O)N1CCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is XRGRLWNZBSRPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-13(18(25)23-11-10-14-6-3-4-9-17(14)23)24(28(2,26)27)16-8-5-7-15(12-16)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 412.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 132664033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).