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

C13H21N3O3S — CID 79652029

IUPAC4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O3S/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)
InChIKeyDKKBFLKANJPQES-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.39
Rot. Bonds6

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

4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide (PubChem CID 79652029) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
PubChem CID79652029
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O3S/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)
InChIKeyDKKBFLKANJPQES-UHFFFAOYSA-N
XLogP0.39
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119991586
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119991826
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79652333
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119991889
N-(3-amino-2,2-dimethylpropyl)-3,5-difluoro-N-methylbenzenesulfonamide
CID 79653372
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 79645778
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide
CID 119991812
methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride
CID 120712229

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide (CID 79652029) is 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide is CN(CC(C)(C)CN)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide?
The InChIKey is DKKBFLKANJPQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/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).
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide?
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide has a molecular weight of 299.40 g/mol, XLogP of 0.39, 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 is sourced from PubChem (CID 79652029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).