5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid

C28H24N2O6S — CID 142866107

IUPAC5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(OCc4ccccc4)c3)cc2)c(C(=O)O)c1
InChIInChI=1S/C28H24N2O6S/c1-19-10-15-26(25(16-19)28(32)33)29-27(31)21-11-13-24(14-12-21)37(34,35)30-22-8-5-9-23(17-22)36-18-20-6-3-2-4-7-20/h2-17,30H,18H2,1H3,(H,29,31)(H,32,33)
InChIKeyMFSSIXQOJMPFGR-UHFFFAOYSA-N
MW516.58 g/mol
LogP5.33
Rot. Bonds9

About 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid

5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid (PubChem CID 142866107) has the molecular formula C28H24N2O6S and a molecular weight of 516.58 g/mol. Its IUPAC name is 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
PubChem CID142866107
Molecular FormulaC28H24N2O6S
Molecular Weight516.58 g/mol
Exact Mass516.14
IUPAC Name5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(OCc4ccccc4)c3)cc2)c(C(=O)O)c1
InChIInChI=1S/C28H24N2O6S/c1-19-10-15-26(25(16-19)28(32)33)29-27(31)21-11-13-24(14-12-21)37(34,35)30-22-8-5-9-23(17-22)36-18-20-6-3-2-4-7-20/h2-17,30H,18H2,1H3,(H,29,31)(H,32,33)
InChIKeyMFSSIXQOJMPFGR-UHFFFAOYSA-N
XLogP5.33
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
4-(ethylsulfamoyl)-N-(2-methyl-4-phenylmethoxyphenyl)benzamide
CID 86966171
2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide
CID 18174478
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The IUPAC name of 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid (CID 142866107) is 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(OCc4ccccc4)c3)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The InChIKey is MFSSIXQOJMPFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O6S/c1-19-10-15-26(25(16-19)28(32)33)29-27(31)21-11-13-24(14-12-21)37(34,35)30-22-8-5-9-23(17-22)36-18-20-6-3-2-4-7-20/h2-17,30H,18H2,1H3,(H,29,31)(H,32,33).
What are the key properties of 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid has a molecular weight of 516.58 g/mol, XLogP of 5.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 142866107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).