3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide

C22H22N2O3S — CID 109065728

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-10-19(11-8-15)23-22(25)18-5-4-6-20(14-18)28(26,27)24-21-12-9-16(2)13-17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyFAYQOJRTHMRLCS-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.66
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide (PubChem CID 109065728) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
PubChem CID109065728
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-7-10-19(11-8-15)23-22(25)18-5-4-6-20(14-18)28(26,27)24-21-12-9-16(2)13-17(21)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyFAYQOJRTHMRLCS-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 2692226
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide (CID 109065728) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
The InChIKey is FAYQOJRTHMRLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-7-10-19(11-8-15)23-22(25)18-5-4-6-20(14-18)28(26,27)24-21-12-9-16(2)13-17(21)3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 109065728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).