2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide

C13H19NO4S — CID 43393208

IUPAC2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C13H19NO4S/c1-3-10(9-15)14-13(16)11-7-5-6-8-12(11)19(17,18)4-2/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyFYZZWYRYGSNCLG-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.98
Rot. Bonds6

About 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide

2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 43393208) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID43393208
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C13H19NO4S/c1-3-10(9-15)14-13(16)11-7-5-6-8-12(11)19(17,18)4-2/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyFYZZWYRYGSNCLG-UHFFFAOYSA-N
XLogP0.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 113351911
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822726
(2S,3R)-2-[(2-ethylsulfonylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965009
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide
CID 28544473
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide (CID 43393208) is 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is FYZZWYRYGSNCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-10(9-15)14-13(16)11-7-5-6-8-12(11)19(17,18)4-2/h5-8,10,15H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide?
2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 285.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 43393208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).