4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid

C17H14N2O5S — CID 24502180

IUPAC4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N2O5S/c1-24-14-8-7-12(17(20)21)10-15(14)25(22,23)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3,(H,20,21)
InChIKeyTYLRUTCPHVITDP-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.74
Rot. Bonds5

About 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid

4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid (PubChem CID 24502180) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
PubChem CID24502180
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N2O5S/c1-24-14-8-7-12(17(20)21)10-15(14)25(22,23)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3,(H,20,21)
InChIKeyTYLRUTCPHVITDP-UHFFFAOYSA-N
XLogP2.74
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-(quinolin-8-ylsulfamoyl)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

5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 56798967
4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571542
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid (CID 24502180) is 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid?
The InChIKey is TYLRUTCPHVITDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-24-14-8-7-12(17(20)21)10-15(14)25(22,23)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3,(H,20,21).
What are the key properties of 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid?
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid has a molecular weight of 358.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 24502180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).