2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide

C18H20ClN3O4S — CID 39171138

IUPAC2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-3-22(4-2)27(25,26)14-8-5-12(6-9-14)18(24)21-13-7-10-15(17(20)23)16(19)11-13/h5-11H,3-4H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyGQVUTRPUDRUFMD-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.72
Rot. Bonds7

About 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide

2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 39171138) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID39171138
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-3-22(4-2)27(25,26)14-8-5-12(6-9-14)18(24)21-13-7-10-15(17(20)23)16(19)11-13/h5-11H,3-4H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyGQVUTRPUDRUFMD-UHFFFAOYSA-N
XLogP2.72
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide (CID 39171138) is 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is GQVUTRPUDRUFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-3-22(4-2)27(25,26)14-8-5-12(6-9-14)18(24)21-13-7-10-15(17(20)23)16(19)11-13/h5-11H,3-4H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 409.90 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 39171138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).