3-amino-4-(cyclobutylsulfamoyl)benzoic acid

C11H14N2O4S — CID 81471279

IUPAC3-amino-4-(cyclobutylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C11H14N2O4S/c12-9-6-7(11(14)15)4-5-10(9)18(16,17)13-8-2-1-3-8/h4-6,8,13H,1-3,12H2,(H,14,15)
InChIKeyVDJLRZMJMLRRIB-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.80
Rot. Bonds4

About 3-amino-4-(cyclobutylsulfamoyl)benzoic acid

3-amino-4-(cyclobutylsulfamoyl)benzoic acid (PubChem CID 81471279) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-amino-4-(cyclobutylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(cyclobutylsulfamoyl)benzoic acid
PubChem CID81471279
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name3-amino-4-(cyclobutylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C11H14N2O4S/c12-9-6-7(11(14)15)4-5-10(9)18(16,17)13-8-2-1-3-8/h4-6,8,13H,1-3,12H2,(H,14,15)
InChIKeyVDJLRZMJMLRRIB-UHFFFAOYSA-N
XLogP0.80
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.80
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-(cyclopropylsulfamoyl)benzoic acid
CID 81471410
3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 81466367
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
methyl 3-amino-4-(oxan-3-ylsulfamoyl)benzoate
CID 63360186
3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid
CID 99988461

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclobutylsulfamoyl)benzoic acid?
The IUPAC name of 3-amino-4-(cyclobutylsulfamoyl)benzoic acid (CID 81471279) is 3-amino-4-(cyclobutylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-amino-4-(cyclobutylsulfamoyl)benzoic acid?
The canonical SMILES for 3-amino-4-(cyclobutylsulfamoyl)benzoic acid is Nc1cc(C(=O)O)ccc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 3-amino-4-(cyclobutylsulfamoyl)benzoic acid?
The InChIKey is VDJLRZMJMLRRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c12-9-6-7(11(14)15)4-5-10(9)18(16,17)13-8-2-1-3-8/h4-6,8,13H,1-3,12H2,(H,14,15).
What are the key properties of 3-amino-4-(cyclobutylsulfamoyl)benzoic acid?
3-amino-4-(cyclobutylsulfamoyl)benzoic acid has a molecular weight of 270.31 g/mol, XLogP of 0.80, 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)benzoic acid is sourced from PubChem (CID 81471279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).