4-ethyl-N-ethylsulfonylbenzamide

C11H15NO3S — CID 70247799

IUPAC4-ethyl-N-ethylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NS(=O)(=O)CC)cc1
InChIInChI=1S/C11H15NO3S/c1-3-9-5-7-10(8-6-9)11(13)12-16(14,15)4-2/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyCVTVUZPOXVAVNE-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.33
Rot. Bonds4

About 4-ethyl-N-ethylsulfonylbenzamide

4-ethyl-N-ethylsulfonylbenzamide (PubChem CID 70247799) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-ethyl-N-ethylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-ethylsulfonylbenzamide
PubChem CID70247799
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-ethyl-N-ethylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NS(=O)(=O)CC)cc1
InChIInChI=1S/C11H15NO3S/c1-3-9-5-7-10(8-6-9)11(13)12-16(14,15)4-2/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyCVTVUZPOXVAVNE-UHFFFAOYSA-N
XLogP1.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dimethylsulfamoyl)-4-ethylbenzamide
CID 47363017
N-ethylsulfonyl-4-phenylbenzamide
CID 140633529
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
2-[(4-ethylbenzoyl)amino]ethanesulfonic acid
CID 90066946
S-fluoro 4-ethylbenzenecarbothioate
CID 143241500
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
4-ethylbenzoyl iodide
CID 89147367
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
(2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoate
CID 6968937
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-ethylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-ethylsulfonylbenzamide (CID 70247799) is 4-ethyl-N-ethylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-ethylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-ethylsulfonylbenzamide is CCc1ccc(C(=O)NS(=O)(=O)CC)cc1.
What is the InChIKey of 4-ethyl-N-ethylsulfonylbenzamide?
The InChIKey is CVTVUZPOXVAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-9-5-7-10(8-6-9)11(13)12-16(14,15)4-2/h5-8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-N-ethylsulfonylbenzamide?
4-ethyl-N-ethylsulfonylbenzamide has a molecular weight of 241.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-ethylsulfonylbenzamide is sourced from PubChem (CID 70247799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).