2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid

C12H17NO5S — CID 79390718

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H17NO5S/c1-12(2,16)8-13(3)19(17,18)10-7-5-4-6-9(10)11(14)15/h4-7,16H,8H2,1-3H3,(H,14,15)
InChIKeyPBZLRRBMHIQBSP-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.78
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid

2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid (PubChem CID 79390718) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
PubChem CID79390718
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H17NO5S/c1-12(2,16)8-13(3)19(17,18)10-7-5-4-6-9(10)11(14)15/h4-7,16H,8H2,1-3H3,(H,14,15)
InChIKeyPBZLRRBMHIQBSP-UHFFFAOYSA-N
XLogP0.78
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
4-fluoro-2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 102919575
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
2-[1,1-difluoropropyl(methyl)sulfamoyl]benzoic acid
CID 142704998
2-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid
CID 81059803
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
2-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]benzoic acid
CID 60951029
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide
CID 115944505

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid (CID 79390718) is 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid is CN(CC(C)(C)O)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid?
The InChIKey is PBZLRRBMHIQBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-12(2,16)8-13(3)19(17,18)10-7-5-4-6-9(10)11(14)15/h4-7,16H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid?
2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 79390718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).