3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one

C20H21N3O3S — CID 135456508

IUPAC3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)CC1
InChIInChI=1S/C20H21N3O3S/c1-14-10-12-23(13-11-14)27(25,26)16-8-6-15(7-9-16)21-19-17-4-2-3-5-18(17)22-20(19)24/h2-9,14H,10-13H2,1H3,(H,21,22,24)
InChIKeyITRGSFCEDMLFPB-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.18
Rot. Bonds3

About 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one

3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one (PubChem CID 135456508) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one
PubChem CID135456508
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)CC1
InChIInChI=1S/C20H21N3O3S/c1-14-10-12-23(13-11-14)27(25,26)16-8-6-15(7-9-16)21-19-17-4-2-3-5-18(17)22-20(19)24/h2-9,14H,10-13H2,1H3,(H,21,22,24)
InChIKeyITRGSFCEDMLFPB-UHFFFAOYSA-N
XLogP3.18
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
CID 50759969
3-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-3H-2-benzofuran-1-one
CID 19245125
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59852303
1-[1-[4-(2-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314270
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one (CID 135456508) is 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one is CC1CCN(S(=O)(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one?
The InChIKey is ITRGSFCEDMLFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-10-12-23(13-11-14)27(25,26)16-8-6-15(7-9-16)21-19-17-4-2-3-5-18(17)22-20(19)24/h2-9,14H,10-13H2,1H3,(H,21,22,24).
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one?
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one has a molecular weight of 383.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135456508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).