3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid

C11H15NO5S — CID 65034105

IUPAC3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(CO)CNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-8(7-13)6-12-18(16,17)10-4-2-3-9(5-10)11(14)15/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyHKXOXRAGXULNDZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.29
Rot. Bonds6

About 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid

3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid (PubChem CID 65034105) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
PubChem CID65034105
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(CO)CNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-8(7-13)6-12-18(16,17)10-4-2-3-9(5-10)11(14)15/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyHKXOXRAGXULNDZ-UHFFFAOYSA-N
XLogP0.29
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
3-(propylsulfamoyl)benzoic acid
CID 2442822
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
3-[(1-carboxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 3476550
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 65033957
3-(2,2,3,3-tetrafluoropropylsulfamoyl)benzoic acid
CID 106290548
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
3-(2-methylpropylsulfamoyl)benzenecarbothioamide
CID 24692710
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid (CID 65034105) is 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid is CC(CO)CNS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
The InChIKey is HKXOXRAGXULNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8(7-13)6-12-18(16,17)10-4-2-3-9(5-10)11(14)15/h2-5,8,12-13H,6-7H2,1H3,(H,14,15).
What are the key properties of 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid?
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 65034105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).