4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide

C13H21N3O3S — CID 115310574

IUPAC4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-9(2)13(3,8-14)16-20(18,19)11-6-4-10(5-7-11)12(15)17/h4-7,9,16H,8,14H2,1-3H3,(H2,15,17)
InChIKeyDRNXYESBIPGXMZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.44
Rot. Bonds6

About 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide

4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide (PubChem CID 115310574) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
PubChem CID115310574
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-9(2)13(3,8-14)16-20(18,19)11-6-4-10(5-7-11)12(15)17/h4-7,9,16H,8,14H2,1-3H3,(H2,15,17)
InChIKeyDRNXYESBIPGXMZ-UHFFFAOYSA-N
XLogP0.44
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 115310619
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 65192569
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
CID 115310585
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
4-(methylsulfamoyl)benzamide
CID 43241290
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119607015
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115310721
N-(1-amino-2,3-dimethylbutan-2-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 115310593

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide (CID 115310574) is 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide is CC(C)C(C)(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide?
The InChIKey is DRNXYESBIPGXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)13(3,8-14)16-20(18,19)11-6-4-10(5-7-11)12(15)17/h4-7,9,16H,8,14H2,1-3H3,(H2,15,17).
What are the key properties of 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide?
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide has a molecular weight of 299.40 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 115310574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).