1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one

C21H23ClN2O3S — CID 91904612

IUPAC1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H23ClN2O3S/c1-2-24-19-6-4-3-5-18(19)21(20(24)25)11-13-23(14-12-21)28(26,27)15-16-7-9-17(22)10-8-16/h3-10H,2,11-15H2,1H3
InChIKeyWOJVFMRSZOGEOH-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.57
Rot. Bonds4

About 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one

1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904612) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904612
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H23ClN2O3S/c1-2-24-19-6-4-3-5-18(19)21(20(24)25)11-13-23(14-12-21)28(26,27)15-16-7-9-17(22)10-8-16/h3-10H,2,11-15H2,1H3
InChIKeyWOJVFMRSZOGEOH-UHFFFAOYSA-N
XLogP3.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-dimethyl-1,3-dihydro-indol-2-one
CID 9799491
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3-diethyl-1,3-dihydro-indol-2-one
CID 9887092
[3-(3,4-dichlorophenyl)-3-[3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]piperidin-1-yl]-phenylmethanone
CID 10258592
3-{4-[4-(4-Chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11661471
Methyl 2-[1'-[(4-chlorophenyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 44404693
(2-Methyl-2,3-dihydro-indol-1-yl)-(1-phenylmethanesulfonyl-piperidin-4-yl)-methanone
CID 649375
2-chloro-5-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 2331668
1-benzyl-5-(3,4-dichlorophenyl)-5-[3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]piperidin-2-one
CID 9852376
N-[(4-Chlorophenyl)methyl]-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16016286
N-[2-(4-chlorophenyl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 16021478
5-{[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]sulfonyl}-1-methyl-2,3-dihydro-1H-indol-2-one
CID 16021492
5-{3-[4-(3-Chlorophenyl)piperazin-1-YL]-3-oxopropanesulfonyl}-1-methyl-2,3-dihydro-1H-indol-2-one
CID 16025314

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one (CID 91904612) is 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is WOJVFMRSZOGEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c1-2-24-19-6-4-3-5-18(19)21(20(24)25)11-13-23(14-12-21)28(26,27)15-16-7-9-17(22)10-8-16/h3-10H,2,11-15H2,1H3.
What are the key properties of 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one?
1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 418.95 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-chlorophenyl)methylsulfonyl]-1-ethylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).