3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide

C18H20N2O4S — CID 19257849

IUPAC3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O4S/c1-3-19-25(22,23)14-8-9-17(24-2)15(12-14)18(21)20-11-10-13-6-4-5-7-16(13)20/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyPSFIYYAUVNIJJR-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.20
Rot. Bonds5

About 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide

3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 19257849) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID19257849
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O4S/c1-3-19-25(22,23)14-8-9-17(24-2)15(12-14)18(21)20-11-10-13-6-4-5-7-16(13)20/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyPSFIYYAUVNIJJR-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102552
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid
CID 146134632
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
CID 165487001
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 7890652
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide (CID 19257849) is 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is PSFIYYAUVNIJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-19-25(22,23)14-8-9-17(24-2)15(12-14)18(21)20-11-10-13-6-4-5-7-16(13)20/h4-9,12,19H,3,10-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide?
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 19257849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).