1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one

C26H24ClN3O3S — CID 23995208

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one
SMILESO=C1/C(=N\c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3S/c27-20-10-8-19(9-11-20)18-30-24-7-3-2-6-23(24)25(26(30)31)28-21-12-14-22(15-13-21)34(32,33)29-16-4-1-5-17-29/h2-3,6-15H,1,4-5,16-18H2/b28-25-
InChIKeyLMKQJLDMPIXHHD-FVDSYPCUSA-N
MW494.02 g/mol
LogP5.18
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one

1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one (PubChem CID 23995208) has the molecular formula C26H24ClN3O3S and a molecular weight of 494.02 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one
PubChem CID23995208
Molecular FormulaC26H24ClN3O3S
Molecular Weight494.02 g/mol
Exact Mass493.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one
SMILESO=C1/C(=N\c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3S/c27-20-10-8-19(9-11-20)18-30-24-7-3-2-6-23(24)25(26(30)31)28-21-12-14-22(15-13-21)34(32,33)29-16-4-1-5-17-29/h2-3,6-15H,1,4-5,16-18H2/b28-25-
InChIKeyLMKQJLDMPIXHHD-FVDSYPCUSA-N
XLogP5.18
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.02
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 20914265
3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 3264306
[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] (2R)-2-chloropropanoate
CID 7033401
(4-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557889
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
2-[(2-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylanilino)-3H-isoindol-1-one
CID 20854833
3-[4-(azepan-1-ylsulfonyl)anilino]-2-[(2-chlorophenyl)methyl]-3H-isoindol-1-one
CID 20854834
3-(3-chloro-4-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17385517
N,N-diethyl-4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzenesulfonamide
CID 23966686
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one
CID 135456508
[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26173836

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one (CID 23995208) is 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one is O=C1/C(=N\c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2N1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one?
The InChIKey is LMKQJLDMPIXHHD-FVDSYPCUSA-N. The full InChI is InChI=1S/C26H24ClN3O3S/c27-20-10-8-19(9-11-20)18-30-24-7-3-2-6-23(24)25(26(30)31)28-21-12-14-22(15-13-21)34(32,33)29-16-4-1-5-17-29/h2-3,6-15H,1,4-5,16-18H2/b28-25-.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one?
1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one has a molecular weight of 494.02 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)iminoindol-2-one is sourced from PubChem (CID 23995208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).