4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride

C13H22ClN3O3S — CID 119991586

IUPAC4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-13(2,8-14)9-16(3)20(18,19)11-6-4-10(5-7-11)12(15)17;/h4-7H,8-9,14H2,1-3H3,(H2,15,17);1H
InChIKeySPCRFOSRCZAEHM-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.81
Rot. Bonds6

About 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride

4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride (PubChem CID 119991586) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
PubChem CID119991586
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-13(2,8-14)9-16(3)20(18,19)11-6-4-10(5-7-11)12(15)17;/h4-7H,8-9,14H2,1-3H3,(H2,15,17);1H
InChIKeySPCRFOSRCZAEHM-UHFFFAOYSA-N
XLogP0.81
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride (CID 119991586) is 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride?
The InChIKey is SPCRFOSRCZAEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-13(2,8-14)9-16(3)20(18,19)11-6-4-10(5-7-11)12(15)17;/h4-7H,8-9,14H2,1-3H3,(H2,15,17);1H.
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride?
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119991586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).