N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide

C24H23ClFN3O3S — CID 4604044

IUPACN-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C24H23ClFN3O3S/c25-18-6-10-20(11-7-18)28-33(31,32)21-12-13-23(29-14-2-1-3-15-29)22(16-21)27-24(30)17-4-8-19(26)9-5-17/h4-13,16,28H,1-3,14-15H2,(H,27,30)
InChIKeyGLYOTJDYRRYDOX-UHFFFAOYSA-N
MW487.98 g/mol
LogP5.52
Rot. Bonds6

About N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide

N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide (PubChem CID 4604044) has the molecular formula C24H23ClFN3O3S and a molecular weight of 487.98 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide
PubChem CID4604044
Molecular FormulaC24H23ClFN3O3S
Molecular Weight487.98 g/mol
Exact Mass487.11
IUPAC NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C24H23ClFN3O3S/c25-18-6-10-20(11-7-18)28-33(31,32)21-12-13-23(29-14-2-1-3-15-29)22(16-21)27-24(30)17-4-8-19(26)9-5-17/h4-13,16,28H,1-3,14-15H2,(H,27,30)
InChIKeyGLYOTJDYRRYDOX-UHFFFAOYSA-N
XLogP5.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.98
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide (CID 4604044) is N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide is O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide?
The InChIKey is GLYOTJDYRRYDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3S/c25-18-6-10-20(11-7-18)28-33(31,32)21-12-13-23(29-14-2-1-3-15-29)22(16-21)27-24(30)17-4-8-19(26)9-5-17/h4-13,16,28H,1-3,14-15H2,(H,27,30).
What are the key properties of N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide?
N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide has a molecular weight of 487.98 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 4604044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).