N-benzyl-3-(4-methylphenyl)sulfonylpropanamide

C17H19NO3S — CID 759101

IUPACN-benzyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(20,21)12-11-17(19)18-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyFXDFYUZXNQKPEK-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.48
Rot. Bonds6

About N-benzyl-3-(4-methylphenyl)sulfonylpropanamide

N-benzyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 759101) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-benzyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID759101
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-benzyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(20,21)12-11-17(19)18-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyFXDFYUZXNQKPEK-UHFFFAOYSA-N
XLogP2.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-benzyl-3-(4-methylphenyl)sulfonylpropanamide (CID 759101) is N-benzyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-benzyl-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is FXDFYUZXNQKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(20,21)12-11-17(19)18-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-benzyl-3-(4-methylphenyl)sulfonylpropanamide?
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 759101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).