3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid

C18H20N2O6S — CID 110613237

IUPAC3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C18H20N2O6S/c1-25-17-6-5-14(20-7-9-26-10-8-20)12-16(17)19-27(23,24)15-4-2-3-13(11-15)18(21)22/h2-6,11-12,19H,7-10H2,1H3,(H,21,22)
InChIKeyPNEATYBYYHIYDN-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.03
Rot. Bonds6

About 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid

3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid (PubChem CID 110613237) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
PubChem CID110613237
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C18H20N2O6S/c1-25-17-6-5-14(20-7-9-26-10-8-20)12-16(17)19-27(23,24)15-4-2-3-13(11-15)18(21)22/h2-6,11-12,19H,7-10H2,1H3,(H,21,22)
InChIKeyPNEATYBYYHIYDN-UHFFFAOYSA-N
XLogP2.03
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]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

N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
3-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5176528
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 110359825
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
CID 45302820
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid (CID 110613237) is 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid is COc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
The InChIKey is PNEATYBYYHIYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-25-17-6-5-14(20-7-9-26-10-8-20)12-16(17)19-27(23,24)15-4-2-3-13(11-15)18(21)22/h2-6,11-12,19H,7-10H2,1H3,(H,21,22).
What are the key properties of 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid?
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid has a molecular weight of 392.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 110613237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).