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2-benzyl-N-(4-methylphenyl)sulfonylbenzamide

C21H19NO3S — CID 132940994

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-16-11-13-19(14-12-16)26(24,25)22-21(23)20-10-6-5-9-18(20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyKMIDGVOULXRTII-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.70
Rot. Bonds5

About 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide

2-benzyl-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 132940994) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID132940994
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-16-11-13-19(14-12-16)26(24,25)22-21(23)20-10-6-5-9-18(20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyKMIDGVOULXRTII-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide (CID 132940994) is 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is KMIDGVOULXRTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-16-11-13-19(14-12-16)26(24,25)22-21(23)20-10-6-5-9-18(20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide?
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 365.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 132940994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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