N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride

C12H20ClN3O3S — CID 119996445

IUPACN-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9(7-13)8-14-12(16)10-5-3-4-6-11(10)15-19(2,17)18;/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16);1H
InChIKeyYTMHGVJQBNSDJC-UHFFFAOYSA-N
MW321.83 g/mol
LogP0.80
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride (PubChem CID 119996445) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
PubChem CID119996445
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC NameN-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9(7-13)8-14-12(16)10-5-3-4-6-11(10)15-19(2,17)18;/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16);1H
InChIKeyYTMHGVJQBNSDJC-UHFFFAOYSA-N
XLogP0.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-(3-amino-2-methylpropyl)-3-iodo-2-methylbenzamide;hydrochloride
CID 119998328
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride (CID 119996445) is N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride is CC(CN)CNC(=O)c1ccccc1NS(C)(=O)=O.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride?
The InChIKey is YTMHGVJQBNSDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S.ClH/c1-9(7-13)8-14-12(16)10-5-3-4-6-11(10)15-19(2,17)18;/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride is sourced from PubChem (CID 119996445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).