N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride

C18H24ClN3O3S — CID 119628934

IUPACN-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N)c2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13-7-9-15(10-8-13)21-25(23,24)16-6-4-5-14(11-16)17(22)20-12-18(2,3)19;/h4-11,21H,12,19H2,1-3H3,(H,20,22);1H
InChIKeyPJLANLKLOPQCDZ-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.68
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119628934) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119628934
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N)c2)cc1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-13-7-9-15(10-8-13)21-25(23,24)16-6-4-5-14(11-16)17(22)20-12-18(2,3)19;/h4-11,21H,12,19H2,1-3H3,(H,20,22);1H
InChIKeyPJLANLKLOPQCDZ-UHFFFAOYSA-N
XLogP2.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(2-amino-2-methylpropyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 119629709
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119628934) is N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N)c2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is PJLANLKLOPQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-13-7-9-15(10-8-13)21-25(23,24)16-6-4-5-14(11-16)17(22)20-12-18(2,3)19;/h4-11,21H,12,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119628934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).