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

C18H19FN2O3S — CID 132654483

IUPACN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCC(C(=O)N1CCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H19FN2O3S/c1-13(18(22)20-11-10-14-6-3-4-9-17(14)20)21(25(2,23)24)16-8-5-7-15(19)12-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVAXPYUVUGTXXHY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.57
Rot. Bonds4

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

N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide (PubChem CID 132654483) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
PubChem CID132654483
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCC(C(=O)N1CCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H19FN2O3S/c1-13(18(22)20-11-10-14-6-3-4-9-17(14)20)21(25(2,23)24)16-8-5-7-15(19)12-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVAXPYUVUGTXXHY-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.57
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-(trifluoromethyl)phenyl]methanesulfonamide
CID 132664033
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 95196405
N-(3-fluorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95196387
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluorophenyl)methyl-methylamino]propan-1-one
CID 8516194
1-[(2R)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95195755
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)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
N-(3-chloro-4-fluorophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]methanesulfonamide
CID 132667564
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide (CID 132654483) is N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide is CC(C(=O)N1CCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide?
The InChIKey is VAXPYUVUGTXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-13(18(22)20-11-10-14-6-3-4-9-17(14)20)21(25(2,23)24)16-8-5-7-15(19)12-16/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-fluorophenyl)methanesulfonamide?
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.57, 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-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 132654483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).