2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

C25H27ClFN3O4S — CID 25162528

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C25H27ClFN3O4S/c1-29(19-9-7-18(27)8-10-19)35(32,33)20-11-12-22(26)21(16-20)25(31)28-17-23(24-6-5-15-34-24)30-13-3-2-4-14-30/h5-12,15-16,23H,2-4,13-14,17H2,1H3,(H,28,31)
InChIKeyOQIFAXDWKBSQOJ-UHFFFAOYSA-N
MW520.03 g/mol
LogP4.85
Rot. Bonds8

About 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 25162528) has the molecular formula C25H27ClFN3O4S and a molecular weight of 520.03 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID25162528
Molecular FormulaC25H27ClFN3O4S
Molecular Weight520.03 g/mol
Exact Mass519.14
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C25H27ClFN3O4S/c1-29(19-9-7-18(27)8-10-19)35(32,33)20-11-12-22(26)21(16-20)25(31)28-17-23(24-6-5-15-34-24)30-13-3-2-4-14-30/h5-12,15-16,23H,2-4,13-14,17H2,1H3,(H,28,31)
InChIKeyOQIFAXDWKBSQOJ-UHFFFAOYSA-N
XLogP4.85
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.03
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 25162528) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(c2ccco2)N2CCCCC2)c1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is OQIFAXDWKBSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O4S/c1-29(19-9-7-18(27)8-10-19)35(32,33)20-11-12-22(26)21(16-20)25(31)28-17-23(24-6-5-15-34-24)30-13-3-2-4-14-30/h5-12,15-16,23H,2-4,13-14,17H2,1H3,(H,28,31).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 520.03 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 25162528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).