1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C20H21N3O3S — CID 26769527

IUPAC1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3S/c1-22(2)27(25,26)16-7-8-19-14(11-16)9-10-23(19)20(24)12-15-13-21-18-6-4-3-5-17(15)18/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyHIPTYKMVAMOBMR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 26769527) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID26769527
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3S/c1-22(2)27(25,26)16-7-8-19-14(11-16)9-10-23(19)20(24)12-15-13-21-18-6-4-3-5-17(15)18/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyHIPTYKMVAMOBMR-UHFFFAOYSA-N
XLogP2.55
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 78873057
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880
N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 26769678
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 78820847
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
2-[2-(1H-indol-3-yl)acetyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644283
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 113209785
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 26769527) is 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HIPTYKMVAMOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22(2)27(25,26)16-7-8-19-14(11-16)9-10-23(19)20(24)12-15-13-21-18-6-4-3-5-17(15)18/h3-8,11,13,21H,9-10,12H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26769527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).