2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride

C13H21ClN2O3S — CID 120831298

IUPAC2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC(C)NC.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-4-19(17,18)12-8-6-5-7-11(12)13(16)15-9-10(2)14-3;/h5-8,10,14H,4,9H2,1-3H3,(H,15,16);1H
InChIKeyGBDRJEIGHWMXSO-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.24
Rot. Bonds6

About 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride

2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120831298) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120831298
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC(C)NC.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-4-19(17,18)12-8-6-5-7-11(12)13(16)15-9-10(2)14-3;/h5-8,10,14H,4,9H2,1-3H3,(H,15,16);1H
InChIKeyGBDRJEIGHWMXSO-UHFFFAOYSA-N
XLogP1.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
CID 115700538
(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
N-[2-(methylamino)propyl]-2-(2-phenylethyl)benzamide;hydrochloride
CID 120831456
N-[2-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 120832590

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120831298) is 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride is CCS(=O)(=O)c1ccccc1C(=O)NCC(C)NC.Cl.
What is the InChIKey of 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is GBDRJEIGHWMXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-4-19(17,18)12-8-6-5-7-11(12)13(16)15-9-10(2)14-3;/h5-8,10,14H,4,9H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride?
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120831298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).