3-amino-4-(cyclobutylsulfamoyl)benzamide

C11H15N3O3S — CID 81471203

IUPAC3-amino-4-(cyclobutylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCC2)c(N)c1
InChIInChI=1S/C11H15N3O3S/c12-9-6-7(11(13)15)4-5-10(9)18(16,17)14-8-2-1-3-8/h4-6,8,14H,1-3,12H2,(H2,13,15)
InChIKeyYBAUYUPTMULKPQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-4-(cyclobutylsulfamoyl)benzamide

3-amino-4-(cyclobutylsulfamoyl)benzamide (PubChem CID 81471203) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-amino-4-(cyclobutylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(cyclobutylsulfamoyl)benzamide
PubChem CID81471203
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-amino-4-(cyclobutylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCC2)c(N)c1
InChIInChI=1S/C11H15N3O3S/c12-9-6-7(11(13)15)4-5-10(9)18(16,17)14-8-2-1-3-8/h4-6,8,14H,1-3,12H2,(H2,13,15)
InChIKeyYBAUYUPTMULKPQ-UHFFFAOYSA-N
XLogP0.20
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(cyclobutylsulfamoyl)benzoic acid
CID 81471279
3-amino-4-(cyclopropylsulfamoyl)benzoic acid
CID 81471410
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
methyl 3-amino-4-(oxan-3-ylsulfamoyl)benzoate
CID 63360186
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
CID 81466289
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclobutylsulfamoyl)benzamide?
The IUPAC name of 3-amino-4-(cyclobutylsulfamoyl)benzamide (CID 81471203) is 3-amino-4-(cyclobutylsulfamoyl)benzamide.
What is the SMILES notation for 3-amino-4-(cyclobutylsulfamoyl)benzamide?
The canonical SMILES for 3-amino-4-(cyclobutylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)NC2CCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(cyclobutylsulfamoyl)benzamide?
The InChIKey is YBAUYUPTMULKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-9-6-7(11(13)15)4-5-10(9)18(16,17)14-8-2-1-3-8/h4-6,8,14H,1-3,12H2,(H2,13,15).
What are the key properties of 3-amino-4-(cyclobutylsulfamoyl)benzamide?
3-amino-4-(cyclobutylsulfamoyl)benzamide has a molecular weight of 269.33 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclobutylsulfamoyl)benzamide is sourced from PubChem (CID 81471203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).