ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate

C21H24N4O5S — CID 102156521

IUPACethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc3c(cc2NS(=O)(=O)c2ccccc2)NC(=O)C3)CC1
InChIInChI=1S/C21H24N4O5S/c1-2-30-21(27)25-10-8-24(9-11-25)19-12-15-13-20(26)22-17(15)14-18(19)23-31(28,29)16-6-4-3-5-7-16/h3-7,12,14,23H,2,8-11,13H2,1H3,(H,22,26)
InChIKeyCRHYGDXMGOKAQD-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.26
Rot. Bonds5

About ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate

ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate (PubChem CID 102156521) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate
PubChem CID102156521
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Nameethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc3c(cc2NS(=O)(=O)c2ccccc2)NC(=O)C3)CC1
InChIInChI=1S/C21H24N4O5S/c1-2-30-21(27)25-10-8-24(9-11-25)19-12-15-13-20(26)22-17(15)14-18(19)23-31(28,29)16-6-4-3-5-7-16/h3-7,12,14,23H,2,8-11,13H2,1H3,(H,22,26)
InChIKeyCRHYGDXMGOKAQD-UHFFFAOYSA-N
XLogP2.26
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(3Z)-6-[(4-fluorophenyl)sulfonylamino]-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]piperazine-1-carboxylate
CID 15984498
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030562
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030807
ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 46390547
benzyl 4-(2-oxo-1,3-dihydroindol-5-yl)piperazine-1-carboxylate
CID 110414727
ethyl 4-[2-chloro-6-[[4-[(3S)-5-oxopyrrolidin-3-yl]phenyl]sulfonylamino]phenyl]piperazine-1-carboxylate
CID 42584197
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-ethoxybenzenesulfonamide
CID 39339831
ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
CID 110768127
ethyl 4-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 26680944
ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44825291
ethyl 4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate
CID 46282016

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate (CID 102156521) is ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc3c(cc2NS(=O)(=O)c2ccccc2)NC(=O)C3)CC1.
What is the InChIKey of ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate?
The InChIKey is CRHYGDXMGOKAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-2-30-21(27)25-10-8-24(9-11-25)19-12-15-13-20(26)22-17(15)14-18(19)23-31(28,29)16-6-4-3-5-7-16/h3-7,12,14,23H,2,8-11,13H2,1H3,(H,22,26).
What are the key properties of ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate?
ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate has a molecular weight of 444.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 102156521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).