1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

C20H23FN2O3S — CID 55913793

IUPAC1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C20H23FN2O3S/c1-4-23(14(2)16-5-7-18(21)8-6-16)27(25,26)19-9-10-20-17(13-19)11-12-22(20)15(3)24/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyMZVSDNSMAPFJGQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.51
Rot. Bonds5

About 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55913793) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55913793
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C20H23FN2O3S/c1-4-23(14(2)16-5-7-18(21)8-6-16)27(25,26)19-9-10-20-17(13-19)11-12-22(20)15(3)24/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyMZVSDNSMAPFJGQ-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531299
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
1-acetyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 3242578
1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 95637329
1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55913777
1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide
CID 24580955
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 55913793) is 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MZVSDNSMAPFJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-4-23(14(2)16-5-7-18(21)8-6-16)27(25,26)19-9-10-20-17(13-19)11-12-22(20)15(3)24/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55913793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).