N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride

C18H23Cl2N3O3S — CID 119522322

IUPACN-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C18H22ClN3O3S.ClH/c1-18(2,12-20)21-17(23)13-6-4-9-16(10-13)26(24,25)22(3)15-8-5-7-14(19)11-15;/h4-11H,12,20H2,1-3H3,(H,21,23);1H
InChIKeyOWHHJPVZQFTGDY-UHFFFAOYSA-N
MW432.37 g/mol
LogP3.05
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride (PubChem CID 119522322) has the molecular formula C18H23Cl2N3O3S and a molecular weight of 432.37 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
PubChem CID119522322
Molecular FormulaC18H23Cl2N3O3S
Molecular Weight432.37 g/mol
Exact Mass431.08
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C18H22ClN3O3S.ClH/c1-18(2,12-20)21-17(23)13-6-4-9-16(10-13)26(24,25)22(3)15-8-5-7-14(19)11-15;/h4-11H,12,20H2,1-3H3,(H,21,23);1H
InChIKeyOWHHJPVZQFTGDY-UHFFFAOYSA-N
XLogP3.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
CID 55343956
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]benzamide
CID 24613023
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride (CID 119522322) is N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride?
The InChIKey is OWHHJPVZQFTGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S.ClH/c1-18(2,12-20)21-17(23)13-6-4-9-16(10-13)26(24,25)22(3)15-8-5-7-14(19)11-15;/h4-11H,12,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride has a molecular weight of 432.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)-methylsulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119522322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).