2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid

C22H20N2O5S — CID 23378599

IUPAC2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H20N2O5S/c1-14-7-10-16(11-8-14)30(28,29)24-20-12-9-15(2)13-18(20)21(25)23-19-6-4-3-5-17(19)22(26)27/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyGUBUOLIDLNCFHR-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.05
Rot. Bonds6

About 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid

2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid (PubChem CID 23378599) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
PubChem CID23378599
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H20N2O5S/c1-14-7-10-16(11-8-14)30(28,29)24-20-12-9-15(2)13-18(20)21(25)23-19-6-4-3-5-17(19)22(26)27/h3-13,24H,1-2H3,(H,23,25)(H,26,27)
InChIKeyGUBUOLIDLNCFHR-UHFFFAOYSA-N
XLogP4.05
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378591
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
2-[[2-[[4-(fluoromethyl)phenyl]sulfonylamino]benzoyl]amino]benzoic acid
CID 59047860
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid (CID 23378599) is 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The InChIKey is GUBUOLIDLNCFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-14-7-10-16(11-8-14)30(28,29)24-20-12-9-15(2)13-18(20)21(25)23-19-6-4-3-5-17(19)22(26)27/h3-13,24H,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid has a molecular weight of 424.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 23378599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).