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

C20H24N4O3S — CID 9030562

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C20H24N4O3S/c1-2-23-9-11-24(12-10-23)19-6-4-3-5-18(19)22-28(26,27)16-7-8-17-15(13-16)14-20(25)21-17/h3-8,13,22H,2,9-12,14H2,1H3,(H,21,25)
InChIKeyTYHDTXKVIQHLMH-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.12
Rot. Bonds5

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

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9030562) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9030562
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C20H24N4O3S/c1-2-23-9-11-24(12-10-23)19-6-4-3-5-18(19)22-28(26,27)16-7-8-17-15(13-16)14-20(25)21-17/h3-8,13,22H,2,9-12,14H2,1H3,(H,21,25)
InChIKeyTYHDTXKVIQHLMH-UHFFFAOYSA-N
XLogP2.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030807
3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 39629010
N-[2-(4-ethoxyphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197732
N-[2-(2-methylphenoxy)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110604721
N-[4-(2-methylanilino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112985929
2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 17486851
ethyl 4-[6-(benzenesulfonamido)-2-oxo-1,3-dihydroindol-5-yl]piperazine-1-carboxylate
CID 102156521
N-(2-chloro-3-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 16562517
N-(1-methyl-5-phenylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110664823
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
N-(5-ethyl-2-methoxyphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110777264
N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9030562) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is TYHDTXKVIQHLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-23-9-11-24(12-10-23)19-6-4-3-5-18(19)22-28(26,27)16-7-8-17-15(13-16)14-20(25)21-17/h3-8,13,22H,2,9-12,14H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9030562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).