2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide

C14H21NO4S — CID 115700538

IUPAC2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C14H21NO4S/c1-3-7-11(16)10-15-14(17)12-8-5-6-9-13(12)20(18,19)4-2/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,15,17)
InChIKeyWKRJFEZSASHIHQ-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.37
Rot. Bonds7

About 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide

2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide (PubChem CID 115700538) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
PubChem CID115700538
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C14H21NO4S/c1-3-7-11(16)10-15-14(17)12-8-5-6-9-13(12)20(18,19)4-2/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,15,17)
InChIKeyWKRJFEZSASHIHQ-UHFFFAOYSA-N
XLogP1.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298
N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
CID 103713016
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399496
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
(2S,3R)-2-[(2-ethylsulfonylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965009

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide (CID 115700538) is 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide is CCCC(O)CNC(=O)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide?
The InChIKey is WKRJFEZSASHIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-7-11(16)10-15-14(17)12-8-5-6-9-13(12)20(18,19)4-2/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,15,17).
What are the key properties of 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide?
2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide has a molecular weight of 299.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide is sourced from PubChem (CID 115700538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).