N-(benzenesulfonyl)-4-methylbenzamide

C14H13NO3S — CID 759524

IUPACN-(benzenesulfonyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-11-7-9-12(10-8-11)14(16)15-19(17,18)13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16)
InChIKeyDRYCVXUWUGJHJZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.11
Rot. Bonds3

About N-(benzenesulfonyl)-4-methylbenzamide

N-(benzenesulfonyl)-4-methylbenzamide (PubChem CID 759524) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-methylbenzamide
PubChem CID759524
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(benzenesulfonyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO3S/c1-11-7-9-12(10-8-11)14(16)15-19(17,18)13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16)
InChIKeyDRYCVXUWUGJHJZ-UHFFFAOYSA-N
XLogP2.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-methylbenzamide?
The IUPAC name of N-(benzenesulfonyl)-4-methylbenzamide (CID 759524) is N-(benzenesulfonyl)-4-methylbenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-methylbenzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-methylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-methylbenzamide?
The InChIKey is DRYCVXUWUGJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-11-7-9-12(10-8-11)14(16)15-19(17,18)13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16).
What are the key properties of N-(benzenesulfonyl)-4-methylbenzamide?
N-(benzenesulfonyl)-4-methylbenzamide has a molecular weight of 275.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-methylbenzamide is sourced from PubChem (CID 759524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).