2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole

C18H23N3O2S — CID 161266048

IUPAC2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2ccccc21.NS(=O)(=O)C1NCc2ccccc21
InChIInChI=1S/C10H13N.C8H10N2O2S/c1-2-11-8-7-9-5-3-4-6-10(9)11;9-13(11,12)8-7-4-2-1-3-6(7)5-10-8/h3-6H,2,7-8H2,1H3;1-4,8,10H,5H2,(H2,9,11,12)
InChIKeyVDEVAOINTHYSPE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.15
Rot. Bonds2

About 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole

2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole (PubChem CID 161266048) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole
PubChem CID161266048
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2ccccc21.NS(=O)(=O)C1NCc2ccccc21
InChIInChI=1S/C10H13N.C8H10N2O2S/c1-2-11-8-7-9-5-3-4-6-10(9)11;9-13(11,12)8-7-4-2-1-3-6(7)5-10-8/h3-6H,2,7-8H2,1H3;1-4,8,10H,5H2,(H2,9,11,12)
InChIKeyVDEVAOINTHYSPE-UHFFFAOYSA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-isoindole-1-sulfonyl chloride
CID 174934831
1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718162
[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
CID 99109815
1-butyl-2,3-dihydroindole
CID 4167209
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 113369044
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(3-fluoroprop-2-enyl)-2,3-dihydroindole
CID 175249463
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine
CID 117217840

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole?
The IUPAC name of 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole (CID 161266048) is 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole.
What is the SMILES notation for 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole?
The canonical SMILES for 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole is CCN1CCc2ccccc21.NS(=O)(=O)C1NCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole?
The InChIKey is VDEVAOINTHYSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C8H10N2O2S/c1-2-11-8-7-9-5-3-4-6-10(9)11;9-13(11,12)8-7-4-2-1-3-6(7)5-10-8/h3-6H,2,7-8H2,1H3;1-4,8,10H,5H2,(H2,9,11,12).
What are the key properties of 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole?
2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole has a molecular weight of 345.47 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole is sourced from PubChem (CID 161266048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).