4-(benzylsulfonylmethyl)-N,N-diethylbenzamide

C19H23NO3S — CID 2976684

IUPAC4-(benzylsulfonylmethyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-3-20(4-2)19(21)18-12-10-17(11-13-18)15-24(22,23)14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyGYGWQRNXTWFTGY-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.28
Rot. Bonds7

About 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide

4-(benzylsulfonylmethyl)-N,N-diethylbenzamide (PubChem CID 2976684) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(benzylsulfonylmethyl)-N,N-diethylbenzamide
PubChem CID2976684
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-(benzylsulfonylmethyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-3-20(4-2)19(21)18-12-10-17(11-13-18)15-24(22,23)14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyGYGWQRNXTWFTGY-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide?
The IUPAC name of 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide (CID 2976684) is 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide?
The canonical SMILES for 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide?
The InChIKey is GYGWQRNXTWFTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-20(4-2)19(21)18-12-10-17(11-13-18)15-24(22,23)14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide?
4-(benzylsulfonylmethyl)-N,N-diethylbenzamide has a molecular weight of 345.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfonylmethyl)-N,N-diethylbenzamide is sourced from PubChem (CID 2976684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).