1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide

C23H26ClN3O4S — CID 20901955

IUPAC1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(Cl)c4)C3)cc2CC1C
InChIInChI=1S/C23H26ClN3O4S/c1-15-11-18-12-21(8-9-22(18)27(15)16(2)28)32(30,31)26-10-4-5-17(14-26)23(29)25-20-7-3-6-19(24)13-20/h3,6-9,12-13,15,17H,4-5,10-11,14H2,1-2H3,(H,25,29)
InChIKeyHUAWISZIUATZGS-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.68
Rot. Bonds4

About 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide

1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide (PubChem CID 20901955) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide
PubChem CID20901955
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(Cl)c4)C3)cc2CC1C
InChIInChI=1S/C23H26ClN3O4S/c1-15-11-18-12-21(8-9-22(18)27(15)16(2)28)32(30,31)26-10-4-5-17(14-26)23(29)25-20-7-3-6-19(24)13-20/h3,6-9,12-13,15,17H,4-5,10-11,14H2,1-2H3,(H,25,29)
InChIKeyHUAWISZIUATZGS-UHFFFAOYSA-N
XLogP3.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155542691
(2S,3S)-2-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155566378
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinolin-2(1H)-one
CID 3245003
1-Acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 20853143
JH-Lph-33
CID 145946109
3-(1-Acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 3238632
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3239871
N~1~-benzyl-N~2~-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]valinamide
CID 3241219
N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 3241873
N-(3-chloro-4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 3620068
1-(4-chlorobenzoyl)-N-[4-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 3912933
N-(4-chlorophenethyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526393

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide (CID 20901955) is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(Cl)c4)C3)cc2CC1C.
What is the InChIKey of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is HUAWISZIUATZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-15-11-18-12-21(8-9-22(18)27(15)16(2)28)32(30,31)26-10-4-5-17(14-26)23(29)25-20-7-3-6-19(24)13-20/h3,6-9,12-13,15,17H,4-5,10-11,14H2,1-2H3,(H,25,29).
What are the key properties of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide?
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 20901955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).