N-[(4-methylphenyl)sulfonylmethyl]benzamide

C15H15NO3S — CID 764751

IUPACN-[(4-methylphenyl)sulfonylmethyl]benzamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)11-16-15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyLGATWRMXUFOGRE-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-methylphenyl)sulfonylmethyl]benzamide

N-[(4-methylphenyl)sulfonylmethyl]benzamide (PubChem CID 764751) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfonylmethyl]benzamide
PubChem CID764751
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[(4-methylphenyl)sulfonylmethyl]benzamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)11-16-15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyLGATWRMXUFOGRE-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]benzamide (CID 764751) is N-[(4-methylphenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)sulfonylmethyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)sulfonylmethyl]benzamide is Cc1ccc(S(=O)(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfonylmethyl]benzamide?
The InChIKey is LGATWRMXUFOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)11-16-15(17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)sulfonylmethyl]benzamide?
N-[(4-methylphenyl)sulfonylmethyl]benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 764751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).