N-(2-benzoyl-4-methylphenyl)methanesulfonamide

C15H15NO3S — CID 977278

IUPACN-(2-benzoyl-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO3S/c1-11-8-9-14(16-20(2,18)19)13(10-11)15(17)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKeyHTPJXSROCRDZLB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.60
Rot. Bonds4

About N-(2-benzoyl-4-methylphenyl)methanesulfonamide

N-(2-benzoyl-4-methylphenyl)methanesulfonamide (PubChem CID 977278) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)methanesulfonamide
PubChem CID977278
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(2-benzoyl-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H15NO3S/c1-11-8-9-14(16-20(2,18)19)13(10-11)15(17)12-6-4-3-5-7-12/h3-10,16H,1-2H3
InChIKeyHTPJXSROCRDZLB-UHFFFAOYSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)methanesulfonamide (CID 977278) is N-(2-benzoyl-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)methanesulfonamide?
The InChIKey is HTPJXSROCRDZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-8-9-14(16-20(2,18)19)13(10-11)15(17)12-6-4-3-5-7-12/h3-10,16H,1-2H3.
What are the key properties of N-(2-benzoyl-4-methylphenyl)methanesulfonamide?
N-(2-benzoyl-4-methylphenyl)methanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 977278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).