4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide

C21H20N2O3S — CID 109061613

IUPAC4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O3S/c1-15-12-16(2)14-19(13-15)23-27(25,26)20-10-8-17(9-11-20)21(24)22-18-6-4-3-5-7-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyLCACWDVAWRABCR-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.36
Rot. Bonds5

About 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide

4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide (PubChem CID 109061613) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
PubChem CID109061613
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O3S/c1-15-12-16(2)14-19(13-15)23-27(25,26)20-10-8-17(9-11-20)21(24)22-18-6-4-3-5-7-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyLCACWDVAWRABCR-UHFFFAOYSA-N
XLogP4.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43879853
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
The IUPAC name of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide (CID 109061613) is 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
The InChIKey is LCACWDVAWRABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-12-16(2)14-19(13-15)23-27(25,26)20-10-8-17(9-11-20)21(24)22-18-6-4-3-5-7-18/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide?
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide has a molecular weight of 380.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 109061613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).