3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide

C23H23ClN2O4S — CID 51545347

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-15-4-10-20(16(2)12-15)26-23(27)18-7-11-21(30-3)22(13-18)31(28,29)25-14-17-5-8-19(24)9-6-17/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeyYAGPHMNQGJSQPF-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.70
Rot. Bonds7

About 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide

3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide (PubChem CID 51545347) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
PubChem CID51545347
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-15-4-10-20(16(2)12-15)26-23(27)18-7-11-21(30-3)22(13-18)31(28,29)25-14-17-5-8-19(24)9-6-17/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeyYAGPHMNQGJSQPF-UHFFFAOYSA-N
XLogP4.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55954991
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55841887
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55492908
N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 17455890
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide (CID 51545347) is 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide?
The InChIKey is YAGPHMNQGJSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-15-4-10-20(16(2)12-15)26-23(27)18-7-11-21(30-3)22(13-18)31(28,29)25-14-17-5-8-19(24)9-6-17/h4-13,25H,14H2,1-3H3,(H,26,27).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide has a molecular weight of 458.97 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 51545347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).