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

C17H19NO5S — CID 110454209

IUPAC4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
SMILESCC(C)(CO)NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-17(2,11-19)18-24(22,23)15-9-7-13(8-10-15)12-3-5-14(6-4-12)16(20)21/h3-10,18-19H,11H2,1-2H3,(H,20,21)
InChIKeyLMKKYDGUIGBEDA-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.10
Rot. Bonds6

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

4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid (PubChem CID 110454209) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
PubChem CID110454209
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
SMILESCC(C)(CO)NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-17(2,11-19)18-24(22,23)15-9-7-13(8-10-15)12-3-5-14(6-4-12)16(20)21/h3-10,18-19H,11H2,1-2H3,(H,20,21)
InChIKeyLMKKYDGUIGBEDA-UHFFFAOYSA-N
XLogP2.10
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]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

4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460708
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
3-[4-(tert-butylsulfamoyl)phenyl]-4-chlorobenzoic acid
CID 53229046
4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 115606746
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 1154512
N-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 59744452
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid?
The IUPAC name of 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid (CID 110454209) is 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid is CC(C)(CO)NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid?
The InChIKey is LMKKYDGUIGBEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-17(2,11-19)18-24(22,23)15-9-7-13(8-10-15)12-3-5-14(6-4-12)16(20)21/h3-10,18-19H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid?
4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid has a molecular weight of 349.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid is sourced from PubChem (CID 110454209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).