4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid

C18H21NO8S — CID 55624724

IUPAC4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
SMILESCOCCOc1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)ccc1OC
InChIInChI=1S/C18H21NO8S/c1-24-8-9-27-16-11-13(5-7-14(16)25-2)19-28(22,23)17-10-12(18(20)21)4-6-15(17)26-3/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyOFKLTPLMTPIZSF-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.23
Rot. Bonds10

About 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid

4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid (PubChem CID 55624724) has the molecular formula C18H21NO8S and a molecular weight of 411.43 g/mol. Its IUPAC name is 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
PubChem CID55624724
Molecular FormulaC18H21NO8S
Molecular Weight411.43 g/mol
Exact Mass411.10
IUPAC Name4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
SMILESCOCCOc1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)ccc1OC
InChIInChI=1S/C18H21NO8S/c1-24-8-9-27-16-11-13(5-7-14(16)25-2)19-28(22,23)17-10-12(18(20)21)4-6-15(17)26-3/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyOFKLTPLMTPIZSF-UHFFFAOYSA-N
XLogP2.23
TPSA120.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]-4-methylbenzoate
CID 55624593
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571542
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 24656737
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
CID 55895075
3-chlorosulfonyl-4-(2-methoxyethoxy)benzoic acid
CID 43145264
3-[(3,4-dimethoxyphenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 56809084
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid (CID 55624724) is 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid is COCCOc1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)ccc1OC.
What is the InChIKey of 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid?
The InChIKey is OFKLTPLMTPIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO8S/c1-24-8-9-27-16-11-13(5-7-14(16)25-2)19-28(22,23)17-10-12(18(20)21)4-6-15(17)26-3/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid?
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid has a molecular weight of 411.43 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 55624724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).