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

C22H20ClN3O4S — CID 2117030

IUPACN-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-26(2)31(29,30)18-12-10-15(11-13-18)21(27)25-20-9-4-3-8-19(20)22(28)24-17-7-5-6-16(23)14-17/h3-14H,1-2H3,(H,24,28)(H,25,27)
InChIKeyIMLDRONZFSNJLW-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.09
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 2117030) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID2117030
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC NameN-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-26(2)31(29,30)18-12-10-15(11-13-18)21(27)25-20-9-4-3-8-19(20)22(28)24-17-7-5-6-16(23)14-17/h3-14H,1-2H3,(H,24,28)(H,25,27)
InChIKeyIMLDRONZFSNJLW-UHFFFAOYSA-N
XLogP4.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
N-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
CID 43948666
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
CID 55754649
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide (CID 2117030) is N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is IMLDRONZFSNJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-26(2)31(29,30)18-12-10-15(11-13-18)21(27)25-20-9-4-3-8-19(20)22(28)24-17-7-5-6-16(23)14-17/h3-14H,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 457.94 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 2117030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).