4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid

C17H19NO5S — CID 15944042

IUPAC4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H19NO5S/c1-11(2)13-6-9-15(23-3)16(10-13)24(21,22)18-14-7-4-12(5-8-14)17(19)20/h4-11,18H,1-3H3,(H,19,20)
InChIKeyCLNHEQDJZIJKOY-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.32
Rot. Bonds6

About 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid

4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid (PubChem CID 15944042) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
PubChem CID15944042
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H19NO5S/c1-11(2)13-6-9-15(23-3)16(10-13)24(21,22)18-14-7-4-12(5-8-14)17(19)20/h4-11,18H,1-3H3,(H,19,20)
InChIKeyCLNHEQDJZIJKOY-UHFFFAOYSA-N
XLogP3.32
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]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-[(2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 50876036
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-[[5-[(E)-2-carboxyethenyl]-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 1118035
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid (CID 15944042) is 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid is COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid?
The InChIKey is CLNHEQDJZIJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11(2)13-6-9-15(23-3)16(10-13)24(21,22)18-14-7-4-12(5-8-14)17(19)20/h4-11,18H,1-3H3,(H,19,20).
What are the key properties of 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid?
4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid has a molecular weight of 349.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 15944042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).