5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid

C12H17N3O5S — CID 106274852

IUPAC5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(N)cc1C(=O)O)C(N)=O
InChIInChI=1S/C12H17N3O5S/c1-12(2,11(14)18)6-15-21(19,20)9-4-3-7(13)5-8(9)10(16)17/h3-5,15H,6,13H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyZUALVYHYEJFWSG-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.24
Rot. Bonds6

About 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid

5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid (PubChem CID 106274852) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid
PubChem CID106274852
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(N)cc1C(=O)O)C(N)=O
InChIInChI=1S/C12H17N3O5S/c1-12(2,11(14)18)6-15-21(19,20)9-4-3-7(13)5-8(9)10(16)17/h3-5,15H,6,13H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyZUALVYHYEJFWSG-UHFFFAOYSA-N
XLogP-0.24
TPSA152.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
5-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242569
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274893
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275955
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274860
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid?
The IUPAC name of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid (CID 106274852) is 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid is CC(C)(CNS(=O)(=O)c1ccc(N)cc1C(=O)O)C(N)=O.
What is the InChIKey of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid?
The InChIKey is ZUALVYHYEJFWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-12(2,11(14)18)6-15-21(19,20)9-4-3-7(13)5-8(9)10(16)17/h3-5,15H,6,13H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid?
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid has a molecular weight of 315.35 g/mol, XLogP of -0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 106274852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).