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

C19H22N4O3S — CID 9030807

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C19H22N4O3S/c1-22-8-10-23(11-9-22)18-5-3-2-4-17(18)21-27(25,26)15-6-7-16-14(12-15)13-19(24)20-16/h2-7,12,21H,8-11,13H2,1H3,(H,20,24)
InChIKeyOIMMSEQXSWIJIB-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.73
Rot. Bonds4

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

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9030807) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9030807
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C19H22N4O3S/c1-22-8-10-23(11-9-22)18-5-3-2-4-17(18)21-27(25,26)15-6-7-16-14(12-15)13-19(24)20-16/h2-7,12,21H,8-11,13H2,1H3,(H,20,24)
InChIKeyOIMMSEQXSWIJIB-UHFFFAOYSA-N
XLogP1.73
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030562
N-[2-(2-methylphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110604721
N-(1-methyl-5-phenylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110664823
3,4-diethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 9030810
N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112985929
N-(2-chloro-3-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 16562517
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44825291
N-[2-(4-ethoxyphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197732
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9030807) is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is OIMMSEQXSWIJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-22-8-10-23(11-9-22)18-5-3-2-4-17(18)21-27(25,26)15-6-7-16-14(12-15)13-19(24)20-16/h2-7,12,21H,8-11,13H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9030807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).