N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide

C24H24ClN3O4S — CID 4651551

IUPACN-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O4S/c1-3-28(4-2)33(31,32)20-9-7-8-17(16-20)23(29)27-22-11-6-5-10-21(22)24(30)26-19-14-12-18(25)13-15-19/h5-16H,3-4H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZMRFGPSBOOXDQO-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.88
Rot. Bonds8

About N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide

N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 4651551) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID4651551
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC NameN-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClN3O4S/c1-3-28(4-2)33(31,32)20-9-7-8-17(16-20)23(29)27-22-11-6-5-10-21(22)24(30)26-19-14-12-18(25)13-15-19/h5-16H,3-4H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZMRFGPSBOOXDQO-UHFFFAOYSA-N
XLogP4.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide (CID 4651551) is N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is ZMRFGPSBOOXDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-3-28(4-2)33(31,32)20-9-7-8-17(16-20)23(29)27-22-11-6-5-10-21(22)24(30)26-19-14-12-18(25)13-15-19/h5-16H,3-4H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 485.99 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[3-(diethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 4651551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).