3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C24H30Cl2N2O4S — CID 18848899

IUPAC3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C24H30Cl2N2O4S/c1-2-3-4-8-15-32-23-21(25)16-18(17-22(23)26)24(29)27-19-9-11-20(12-10-19)33(30,31)28-13-6-5-7-14-28/h9-12,16-17H,2-8,13-15H2,1H3,(H,27,29)
InChIKeyUZYQGXUELDODOD-UHFFFAOYSA-N
MW513.49 g/mol
LogP6.38
Rot. Bonds10

About 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 18848899) has the molecular formula C24H30Cl2N2O4S and a molecular weight of 513.49 g/mol. Its IUPAC name is 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID18848899
Molecular FormulaC24H30Cl2N2O4S
Molecular Weight513.49 g/mol
Exact Mass512.13
IUPAC Name3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C24H30Cl2N2O4S/c1-2-3-4-8-15-32-23-21(25)16-18(17-22(23)26)24(29)27-19-9-11-20(12-10-19)33(30,31)28-13-6-5-7-14-28/h9-12,16-17H,2-8,13-15H2,1H3,(H,27,29)
InChIKeyUZYQGXUELDODOD-UHFFFAOYSA-N
XLogP6.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.49
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
3-bromo-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4959480
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400
4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 18848779
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
3-bromo-4-hexoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4959765
3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
CID 18848670

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 18848899) is 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is CCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is UZYQGXUELDODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O4S/c1-2-3-4-8-15-32-23-21(25)16-18(17-22(23)26)24(29)27-19-9-11-20(12-10-19)33(30,31)28-13-6-5-7-14-28/h9-12,16-17H,2-8,13-15H2,1H3,(H,27,29).
What are the key properties of 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 513.49 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 18848899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).