2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide

C15H23NO4S — CID 103713016

IUPAC2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C15H23NO4S/c1-4-10-15(3,18)11-16-14(17)12-8-6-7-9-13(12)21(19,20)5-2/h6-9,18H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyRCZGWLCNXAUDJD-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.76
Rot. Bonds7

About 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide

2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide (PubChem CID 103713016) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
PubChem CID103713016
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C15H23NO4S/c1-4-10-15(3,18)11-16-14(17)12-8-6-7-9-13(12)21(19,20)5-2/h6-9,18H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyRCZGWLCNXAUDJD-UHFFFAOYSA-N
XLogP1.76
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
CID 115700538
2-(2,2-dimethylbutylcarbamoyl)benzenesulfonic acid
CID 54199366
2-ethylsulfonyl-N-(3-phenylprop-2-ynyl)benzamide
CID 24669076
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide (CID 103713016) is 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide is CCCC(C)(O)CNC(=O)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide?
The InChIKey is RCZGWLCNXAUDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-10-15(3,18)11-16-14(17)12-8-6-7-9-13(12)21(19,20)5-2/h6-9,18H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of 2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide?
2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide has a molecular weight of 313.42 g/mol, XLogP of 1.76, 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-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 103713016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).