2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid

C20H17NO5S — CID 166324508

IUPAC2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H17NO5S/c1-13-11-16(20(23)24)19(22)18(12-13)27(25,26)21-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-12,21-22H,1H3,(H,23,24)
InChIKeyXLCHLIHUOSGBAX-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.87
Rot. Bonds5

About 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid

2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid (PubChem CID 166324508) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
PubChem CID166324508
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H17NO5S/c1-13-11-16(20(23)24)19(22)18(12-13)27(25,26)21-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-12,21-22H,1H3,(H,23,24)
InChIKeyXLCHLIHUOSGBAX-UHFFFAOYSA-N
XLogP3.87
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51126123
3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51127324
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
CID 58652419
3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid
CID 71910575
4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166373629
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166324507
2-methyl-3-[(2-phenylphenyl)sulfonylamino]benzamide
CID 39846336
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid (CID 166324508) is 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid is Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The InChIKey is XLCHLIHUOSGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-13-11-16(20(23)24)19(22)18(12-13)27(25,26)21-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-12,21-22H,1H3,(H,23,24).
What are the key properties of 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid has a molecular weight of 383.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 166324508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).