4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

C24H26ClN3O4S — CID 42601202

IUPAC4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H26ClN3O4S/c25-20-7-2-3-8-21(20)27-33(30,31)19-12-10-18(11-13-19)24(29)26-17-22(23-9-6-16-32-23)28-14-4-1-5-15-28/h2-3,6-13,16,22,27H,1,4-5,14-15,17H2,(H,26,29)
InChIKeyDMDCVLRTPMANDI-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.69
Rot. Bonds8

About 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 42601202) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID42601202
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H26ClN3O4S/c25-20-7-2-3-8-21(20)27-33(30,31)19-12-10-18(11-13-19)24(29)26-17-22(23-9-6-16-32-23)28-14-4-1-5-15-28/h2-3,6-13,16,22,27H,1,4-5,14-15,17H2,(H,26,29)
InChIKeyDMDCVLRTPMANDI-UHFFFAOYSA-N
XLogP4.69
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 42601202) is 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is O=C(NCC(c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is DMDCVLRTPMANDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c25-20-7-2-3-8-21(20)27-33(30,31)19-12-10-18(11-13-19)24(29)26-17-22(23-9-6-16-32-23)28-14-4-1-5-15-28/h2-3,6-13,16,22,27H,1,4-5,14-15,17H2,(H,26,29).
What are the key properties of 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 488.01 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 42601202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).