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

C12H19N3O3S — CID 65192569

IUPAC4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
SMILESCC(C)C(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(2)11(7-13)15-19(17,18)10-5-3-9(4-6-10)12(14)16/h3-6,8,11,15H,7,13H2,1-2H3,(H2,14,16)
InChIKeyDZKUVVNYWFUELZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.05
Rot. Bonds6

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

4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide (PubChem CID 65192569) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
PubChem CID65192569
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
SMILESCC(C)C(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(2)11(7-13)15-19(17,18)10-5-3-9(4-6-10)12(14)16/h3-6,8,11,15H,7,13H2,1-2H3,(H2,14,16)
InChIKeyDZKUVVNYWFUELZ-UHFFFAOYSA-N
XLogP0.05
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 115754843
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
(2S)-2-[(4-carbamoylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173826
4-(methylsulfamoyl)benzamide
CID 43241290
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522
4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 96542975
3-amino-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzamide
CID 106347953
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981
N-[(3S,6R)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3R,6R)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3S,6S)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3R,6S)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide
CID 162170045
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide (CID 65192569) is 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide is CC(C)C(CN)NS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide?
The InChIKey is DZKUVVNYWFUELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)11(7-13)15-19(17,18)10-5-3-9(4-6-10)12(14)16/h3-6,8,11,15H,7,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide?
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide has a molecular weight of 285.37 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 65192569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).