2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid

C23H22N2O5S — CID 23378591

IUPAC2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)c(C)c1
InChIInChI=1S/C23H22N2O5S/c1-14-12-15(2)21(16(3)13-14)31(29,30)25-20-11-7-4-8-17(20)22(26)24-19-10-6-5-9-18(19)23(27)28/h4-13,25H,1-3H3,(H,24,26)(H,27,28)
InChIKeyJCFPSEILCCBXTO-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.36
Rot. Bonds6

About 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid

2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid (PubChem CID 23378591) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
PubChem CID23378591
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)c(C)c1
InChIInChI=1S/C23H22N2O5S/c1-14-12-15(2)21(16(3)13-14)31(29,30)25-20-11-7-4-8-17(20)22(26)24-19-10-6-5-9-18(19)23(27)28/h4-13,25H,1-3H3,(H,24,26)(H,27,28)
InChIKeyJCFPSEILCCBXTO-UHFFFAOYSA-N
XLogP4.36
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 4152728
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
N-[(3-chlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 46101926
N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 17311471
2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 39846063
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-[[2-[[4-(fluoromethyl)phenyl]sulfonylamino]benzoyl]amino]benzoic acid
CID 59047860
cyanomethyl 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 16578360
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 7744895
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid (CID 23378591) is 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid is Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O)c(C)c1.
What is the InChIKey of 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
The InChIKey is JCFPSEILCCBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-14-12-15(2)21(16(3)13-14)31(29,30)25-20-11-7-4-8-17(20)22(26)24-19-10-6-5-9-18(19)23(27)28/h4-13,25H,1-3H3,(H,24,26)(H,27,28).
What are the key properties of 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid?
2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid has a molecular weight of 438.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 23378591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).