3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide

C12H17N3O3S — CID 106180456

IUPAC3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
SMILESCC(C)=CCNS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H17N3O3S/c1-8(2)5-6-15-19(17,18)11-4-3-9(12(14)16)7-10(11)13/h3-5,7,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyODXURCBRNUIHBY-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide

3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide (PubChem CID 106180456) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
PubChem CID106180456
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
SMILESCC(C)=CCNS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H17N3O3S/c1-8(2)5-6-15-19(17,18)11-4-3-9(12(14)16)7-10(11)13/h3-5,7,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyODXURCBRNUIHBY-UHFFFAOYSA-N
XLogP0.61
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(3-methylbut-2-enylamino)benzamide
CID 106182418
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
CID 81457835
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
3-amino-4-[(1-methylpyrazol-4-yl)methylsulfamoyl]benzamide
CID 81466386
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide?
The IUPAC name of 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide (CID 106180456) is 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide.
What is the SMILES notation for 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide?
The canonical SMILES for 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide is CC(C)=CCNS(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide?
The InChIKey is ODXURCBRNUIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8(2)5-6-15-19(17,18)11-4-3-9(12(14)16)7-10(11)13/h3-5,7,15H,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide?
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide has a molecular weight of 283.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 106180456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).