N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride

C18H24ClN3O3S — CID 119628528

IUPACN-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-18(2,19)13-20-17(22)14-9-11-16(12-10-14)25(23,24)21(3)15-7-5-4-6-8-15;/h4-12H,13,19H2,1-3H3,(H,20,22);1H
InChIKeyJWZUHHZGKSJQEI-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.40
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119628528) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119628528
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-18(2,19)13-20-17(22)14-9-11-16(12-10-14)25(23,24)21(3)15-7-5-4-6-8-15;/h4-12H,13,19H2,1-3H3,(H,20,22);1H
InChIKeyJWZUHHZGKSJQEI-UHFFFAOYSA-N
XLogP2.40
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride
CID 119628783
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
N-(2-amino-2-methylpropyl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119629953
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919272
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586
4-[methyl(phenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46564955
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride (CID 119628528) is N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is JWZUHHZGKSJQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-18(2,19)13-20-17(22)14-9-11-16(12-10-14)25(23,24)21(3)15-7-5-4-6-8-15;/h4-12H,13,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.40, 6 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-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119628528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).