4-(benzenesulfonyl)-N,N-diethylbenzamide

C17H19NO3S — CID 823600

IUPAC4-(benzenesulfonyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-3-18(4-2)17(19)14-10-12-16(13-11-14)22(20,21)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyJLCLAIDEYAAKAF-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.00
Rot. Bonds5

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

4-(benzenesulfonyl)-N,N-diethylbenzamide (PubChem CID 823600) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N,N-diethylbenzamide
PubChem CID823600
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-(benzenesulfonyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-3-18(4-2)17(19)14-10-12-16(13-11-14)22(20,21)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyJLCLAIDEYAAKAF-UHFFFAOYSA-N
XLogP3.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzamide
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N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide Hydrochloride
CID 197240
Piperidine Derivative 22
CID 10029132
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-(Phenylsulfonylmethyl)benzamide
CID 786537
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
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N-Pentyl 4-sulfamylbenzamide
CID 23274923

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N,N-diethylbenzamide?
The IUPAC name of 4-(benzenesulfonyl)-N,N-diethylbenzamide (CID 823600) is 4-(benzenesulfonyl)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N,N-diethylbenzamide?
The canonical SMILES for 4-(benzenesulfonyl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N,N-diethylbenzamide?
The InChIKey is JLCLAIDEYAAKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-18(4-2)17(19)14-10-12-16(13-11-14)22(20,21)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-N,N-diethylbenzamide?
4-(benzenesulfonyl)-N,N-diethylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N,N-diethylbenzamide is sourced from PubChem (CID 823600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).