N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide

C22H22N2O3S — CID 109064583

IUPACN-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1cccc(CNS(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C22H22N2O3S/c1-16-6-3-8-18(12-16)15-23-28(26,27)21-11-5-9-19(14-21)22(25)24-20-10-4-7-17(2)13-20/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyCUTGHILTSIDXLG-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.03
Rot. Bonds6

About N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide

N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109064583) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109064583
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1cccc(CNS(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C22H22N2O3S/c1-16-6-3-8-18(12-16)15-23-28(26,27)21-11-5-9-19(14-21)22(25)24-20-10-4-7-17(2)13-20/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyCUTGHILTSIDXLG-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide (CID 109064583) is N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide is Cc1cccc(CNS(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is CUTGHILTSIDXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-6-3-8-18(12-16)15-23-28(26,27)21-11-5-9-19(14-21)22(25)24-20-10-4-7-17(2)13-20/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109064583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).