4-[(4-methylphenyl)methylsulfonylamino]benzamide

C15H16N2O3S — CID 110756530

IUPAC4-[(4-methylphenyl)methylsulfonylamino]benzamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-2-4-12(5-3-11)10-21(19,20)17-14-8-6-13(7-9-14)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyOJIMVVNQIVTHRU-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.04
Rot. Bonds5

About 4-[(4-methylphenyl)methylsulfonylamino]benzamide

4-[(4-methylphenyl)methylsulfonylamino]benzamide (PubChem CID 110756530) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylsulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylsulfonylamino]benzamide
PubChem CID110756530
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[(4-methylphenyl)methylsulfonylamino]benzamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-2-4-12(5-3-11)10-21(19,20)17-14-8-6-13(7-9-14)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyOJIMVVNQIVTHRU-UHFFFAOYSA-N
XLogP2.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
CID 110776970
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide
CID 81184173
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
methyl 4-[[4-(diethylaminomethyl)phenyl]sulfamoylmethyl]benzoate
CID 92681479
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylsulfonylamino]benzamide?
The IUPAC name of 4-[(4-methylphenyl)methylsulfonylamino]benzamide (CID 110756530) is 4-[(4-methylphenyl)methylsulfonylamino]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)methylsulfonylamino]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)methylsulfonylamino]benzamide is Cc1ccc(CS(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylsulfonylamino]benzamide?
The InChIKey is OJIMVVNQIVTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-2-4-12(5-3-11)10-21(19,20)17-14-8-6-13(7-9-14)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18).
What are the key properties of 4-[(4-methylphenyl)methylsulfonylamino]benzamide?
4-[(4-methylphenyl)methylsulfonylamino]benzamide has a molecular weight of 304.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylsulfonylamino]benzamide is sourced from PubChem (CID 110756530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).