N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride

C13H21ClN2O3S — CID 119629953

IUPACN-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-4-19(17,18)11-7-5-10(6-8-11)12(16)15-9-13(2,3)14;/h5-8H,4,9,14H2,1-3H3,(H,15,16);1H
InChIKeySSHUJGPQEHDWKG-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.37
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride (PubChem CID 119629953) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
PubChem CID119629953
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC NameN-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-4-19(17,18)11-7-5-10(6-8-11)12(16)15-9-13(2,3)14;/h5-8H,4,9,14H2,1-3H3,(H,15,16);1H
InChIKeySSHUJGPQEHDWKG-UHFFFAOYSA-N
XLogP1.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride
CID 119628783
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
CID 98018400
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride (CID 119629953) is N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride is CCS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride?
The InChIKey is SSHUJGPQEHDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-4-19(17,18)11-7-5-10(6-8-11)12(16)15-9-13(2,3)14;/h5-8H,4,9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119629953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).