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

C20H21N3O3S — CID 113086391

IUPACN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H21N3O3S/c1-20(2,11-14-12-21-18-6-4-3-5-16(14)18)23-27(25,26)15-7-8-17-13(9-15)10-19(24)22-17/h3-9,12,21,23H,10-11H2,1-2H3,(H,22,24)
InChIKeyXWGDEHLCCSYJHV-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.96
Rot. Bonds5

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

N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 113086391) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID113086391
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C20H21N3O3S/c1-20(2,11-14-12-21-18-6-4-3-5-16(14)18)23-27(25,26)15-7-8-17-13(9-15)10-19(24)22-17/h3-9,12,21,23H,10-11H2,1-2H3,(H,22,24)
InChIKeyXWGDEHLCCSYJHV-UHFFFAOYSA-N
XLogP2.96
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958434
5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 23654593
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 79386959
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112985929

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 113086391) is N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is XWGDEHLCCSYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-20(2,11-14-12-21-18-6-4-3-5-16(14)18)23-27(25,26)15-7-8-17-13(9-15)10-19(24)22-17/h3-9,12,21,23H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113086391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).