4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid

C22H22N2O8S2 — CID 4005118

IUPAC4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cc(C(=O)O)ccc3OC)ccc2C)cc1
InChIInChI=1S/C22H22N2O8S2/c1-14-4-6-17(13-20(14)33(27,28)23-16-7-9-18(31-2)10-8-16)24-34(29,30)21-12-15(22(25)26)5-11-19(21)32-3/h4-13,23-24H,1-3H3,(H,25,26)
InChIKeyFBQWSAUJDUJXKC-UHFFFAOYSA-N
MW506.56 g/mol
LogP3.31
Rot. Bonds9

About 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid

4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid (PubChem CID 4005118) has the molecular formula C22H22N2O8S2 and a molecular weight of 506.56 g/mol. Its IUPAC name is 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
PubChem CID4005118
Molecular FormulaC22H22N2O8S2
Molecular Weight506.56 g/mol
Exact Mass506.08
IUPAC Name4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cc(C(=O)O)ccc3OC)ccc2C)cc1
InChIInChI=1S/C22H22N2O8S2/c1-14-4-6-17(13-20(14)33(27,28)23-16-7-9-18(31-2)10-8-16)24-34(29,30)21-12-15(22(25)26)5-11-19(21)32-3/h4-13,23-24H,1-3H3,(H,25,26)
InChIKeyFBQWSAUJDUJXKC-UHFFFAOYSA-N
XLogP3.31
TPSA148.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
4-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 71904035
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 55869067
N-(3,4-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 126415422
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 24656737

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid (CID 4005118) is 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cc(C(=O)O)ccc3OC)ccc2C)cc1.
What is the InChIKey of 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid?
The InChIKey is FBQWSAUJDUJXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O8S2/c1-14-4-6-17(13-20(14)33(27,28)23-16-7-9-18(31-2)10-8-16)24-34(29,30)21-12-15(22(25)26)5-11-19(21)32-3/h4-13,23-24H,1-3H3,(H,25,26).
What are the key properties of 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid?
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid has a molecular weight of 506.56 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 4005118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).