N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C20H22N4O4S — CID 44825291

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)CC1
InChIInChI=1S/C20H22N4O4S/c1-14(25)23-8-10-24(11-9-23)17-4-2-16(3-5-17)22-29(27,28)18-6-7-19-15(12-18)13-20(26)21-19/h2-7,12,22H,8-11,13H2,1H3,(H,21,26)
InChIKeyNWQCXJCLHVAEPH-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.65
Rot. Bonds4

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 44825291) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID44825291
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)CC1
InChIInChI=1S/C20H22N4O4S/c1-14(25)23-8-10-24(11-9-23)17-4-2-16(3-5-17)22-29(27,28)18-6-7-19-15(12-18)13-20(26)21-19/h2-7,12,22H,8-11,13H2,1H3,(H,21,26)
InChIKeyNWQCXJCLHVAEPH-UHFFFAOYSA-N
XLogP1.65
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methylmorpholin-4-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110637346
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
N-(1-acetylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110715026
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
N-cyclopropyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 113094143
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110358483
N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112981006
N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112985929
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 44825291) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is NWQCXJCLHVAEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14(25)23-8-10-24(11-9-23)17-4-2-16(3-5-17)22-29(27,28)18-6-7-19-15(12-18)13-20(26)21-19/h2-7,12,22H,8-11,13H2,1H3,(H,21,26).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 414.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 44825291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).