4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid

C11H16N2O5S — CID 102930936

IUPAC4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
SMILESCC(C)(CO)NS(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-11(2,6-14)13-19(17,18)9-5-7(12)3-4-8(9)10(15)16/h3-5,13-14H,6,12H2,1-2H3,(H,15,16)
InChIKeyMKLARILIDFHCMZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.02
Rot. Bonds5

About 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid

4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid (PubChem CID 102930936) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
PubChem CID102930936
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid
SMILESCC(C)(CO)NS(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-11(2,6-14)13-19(17,18)9-5-7(12)3-4-8(9)10(15)16/h3-5,13-14H,6,12H2,1-2H3,(H,15,16)
InChIKeyMKLARILIDFHCMZ-UHFFFAOYSA-N
XLogP0.02
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
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

4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
4-amino-2-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 102931714
4-amino-2-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930917
4-amino-2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348020
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666
4-amino-2-[(4-iodophenyl)sulfamoyl]benzoic acid
CID 102930866
4-amino-2-[2-(dimethylamino)propylsulfamoyl]benzoic acid
CID 102931085
4-amino-2-(3-sulfamoylpropylsulfamoyl)benzoic acid
CID 102931171
4-amino-2-(3-methylsulfinylpropylsulfamoyl)benzoic acid
CID 102931661
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 102930878
4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid (CID 102930936) is 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid is CC(C)(CO)NS(=O)(=O)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is MKLARILIDFHCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-11(2,6-14)13-19(17,18)9-5-7(12)3-4-8(9)10(15)16/h3-5,13-14H,6,12H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid?
4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 102930936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).