4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

C22H21ClN2O3S — CID 1020144

IUPAC4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-14-4-7-19(8-5-14)29(27,28)25-21-13-17(6-9-20(21)23)22(26)24-18-11-15(2)10-16(3)12-18/h4-13,25H,1-3H3,(H,24,26)
InChIKeyUTBPKBVVVOHFBH-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.32
Rot. Bonds5

About 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 1020144) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID1020144
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-14-4-7-19(8-5-14)29(27,28)25-21-13-17(6-9-20(21)23)22(26)24-18-11-15(2)10-16(3)12-18/h4-13,25H,1-3H3,(H,24,26)
InChIKeyUTBPKBVVVOHFBH-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
CID 2228302
N-(2-chlorophenyl)-4-(methylsulfonyl)benzamide
CID 2747545
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2473148
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
3-chloro-N-(3-{N-[(4-methylphenyl)sulfonyl]ethanehydrazonoyl}phenyl)benzamide
CID 6260861
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
N-[4-(benzenesulfonamido)phenyl]-2-chlorobenzamide
CID 2311681
N-(4-chlorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 877170
4-chloro-N-[2-(1-cyclohexen-1-yl)ethyl]-3-{[(3-methylphenyl)amino]sulfonyl}benzamide
CID 1249608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 1020144) is 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UTBPKBVVVOHFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-14-4-7-19(8-5-14)29(27,28)25-21-13-17(6-9-20(21)23)22(26)24-18-11-15(2)10-16(3)12-18/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 428.94 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 1020144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).