4-methyl-N-phenacylbenzenesulfonamide

C15H15NO3S — CID 2306777

IUPAC4-methyl-N-phenacylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyPKDGTVRRRFCLLK-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.16
Rot. Bonds5

About 4-methyl-N-phenacylbenzenesulfonamide

4-methyl-N-phenacylbenzenesulfonamide (PubChem CID 2306777) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-methyl-N-phenacylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-phenacylbenzenesulfonamide
PubChem CID2306777
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-methyl-N-phenacylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyPKDGTVRRRFCLLK-UHFFFAOYSA-N
XLogP2.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 4-methyl-N-phenacylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-phenacylbenzenesulfonamide (CID 2306777) is 4-methyl-N-phenacylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-phenacylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-phenacylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-phenacylbenzenesulfonamide?
The InChIKey is PKDGTVRRRFCLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3.
What are the key properties of 4-methyl-N-phenacylbenzenesulfonamide?
4-methyl-N-phenacylbenzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenacylbenzenesulfonamide is sourced from PubChem (CID 2306777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).