4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide

C11H15NO4S — CID 96664940

IUPAC4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C11H15NO4S/c1-2-17(15,16)10-5-3-9(4-6-10)11(14)12-7-8-13/h3-6,13H,2,7-8H2,1H3,(H,12,14)
InChIKeyXIVLGEQLAHPCQZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.20
Rot. Bonds5

About 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide

4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide (PubChem CID 96664940) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
PubChem CID96664940
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C11H15NO4S/c1-2-17(15,16)10-5-3-9(4-6-10)11(14)12-7-8-13/h3-6,13H,2,7-8H2,1H3,(H,12,14)
InChIKeyXIVLGEQLAHPCQZ-UHFFFAOYSA-N
XLogP0.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
CID 98018400
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
4-[(4-acetylphenyl)-[4-(2-hydroxyethylcarbamoyl)phenyl]phosphanyl]-N-(2-hydroxyethyl)benzamide
CID 142091333
4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
CID 70891086
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
N-[(4-ethylsulfonylphenyl)methyl]-4-[(2-methylpropylamino)methyl]benzamide
CID 174934667

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide (CID 96664940) is 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide is CCS(=O)(=O)c1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is XIVLGEQLAHPCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-17(15,16)10-5-3-9(4-6-10)11(14)12-7-8-13/h3-6,13H,2,7-8H2,1H3,(H,12,14).
What are the key properties of 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide?
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 96664940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).