4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid

C11H16N2O5S — CID 102930934

IUPAC4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
SMILESCCC(CO)NS(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-2-8(6-14)13-19(17,18)10-5-7(12)3-4-9(10)11(15)16/h3-5,8,13-14H,2,6,12H2,1H3,(H,15,16)
InChIKeyCKKPBXRJRKKHPZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.02
Rot. Bonds6

About 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid

4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid (PubChem CID 102930934) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
PubChem CID102930934
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
SMILESCCC(CO)NS(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-2-8(6-14)13-19(17,18)10-5-7(12)3-4-9(10)11(15)16/h3-5,8,13-14H,2,6,12H2,1H3,(H,15,16)
InChIKeyCKKPBXRJRKKHPZ-UHFFFAOYSA-N
XLogP0.02
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.02
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

5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
4-amino-2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348020
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
5-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-2-methylbenzoic acid
CID 107216134
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
CID 102930936
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
4-amino-2-[2-(dimethylamino)propylsulfamoyl]benzoic acid
CID 102931085
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid (CID 102930934) is 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid is CCC(CO)NS(=O)(=O)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid?
The InChIKey is CKKPBXRJRKKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-8(6-14)13-19(17,18)10-5-7(12)3-4-9(10)11(15)16/h3-5,8,13-14H,2,6,12H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid?
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 102930934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).