1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide

C20H20Cl2N2O4S — CID 60539561

IUPAC1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H20Cl2N2O4S/c1-13(25)14-5-4-6-16(11-14)29(27,28)24-10-3-2-7-19(24)20(26)23-15-8-9-17(21)18(22)12-15/h4-6,8-9,11-12,19H,2-3,7,10H2,1H3,(H,23,26)
InChIKeyFMOCCOHZMZNMIY-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.38
Rot. Bonds5

About 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide

1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 60539561) has the molecular formula C20H20Cl2N2O4S and a molecular weight of 455.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
PubChem CID60539561
Molecular FormulaC20H20Cl2N2O4S
Molecular Weight455.36 g/mol
Exact Mass454.05
IUPAC Name1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H20Cl2N2O4S/c1-13(25)14-5-4-6-16(11-14)29(27,28)24-10-3-2-7-19(24)20(26)23-15-8-9-17(21)18(22)12-15/h4-6,8-9,11-12,19H,2-3,7,10H2,1H3,(H,23,26)
InChIKeyFMOCCOHZMZNMIY-UHFFFAOYSA-N
XLogP4.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 42956538
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-2-carboxamide
CID 2648526
N-(4-acetamido-2-chlorophenyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 56580125
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
N-(3,4-dichlorophenyl)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 60539560
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 46482849
N-(3-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide
CID 4839984
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 41173473

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide (CID 60539561) is 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide is CC(=O)c1cccc(S(=O)(=O)N2CCCCC2C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is FMOCCOHZMZNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4S/c1-13(25)14-5-4-6-16(11-14)29(27,28)24-10-3-2-7-19(24)20(26)23-15-8-9-17(21)18(22)12-15/h4-6,8-9,11-12,19H,2-3,7,10H2,1H3,(H,23,26).
What are the key properties of 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide?
1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 455.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 60539561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).