2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid

C20H24N2O5S — CID 46292237

IUPAC2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C20H24N2O5S/c1-13-10-14(2)19(15(3)11-13)28(25,26)21-16-4-5-18(17(12-16)20(23)24)22-6-8-27-9-7-22/h4-5,10-12,21H,6-9H2,1-3H3,(H,23,24)
InChIKeyZBIAYRPYBDPMQE-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.95
Rot. Bonds5

About 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid

2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid (PubChem CID 46292237) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
PubChem CID46292237
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C20H24N2O5S/c1-13-10-14(2)19(15(3)11-13)28(25,26)21-16-4-5-18(17(12-16)20(23)24)22-6-8-27-9-7-22/h4-5,10-12,21H,6-9H2,1-3H3,(H,23,24)
InChIKeyZBIAYRPYBDPMQE-UHFFFAOYSA-N
XLogP2.95
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766307
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 1064388
2-(4-pyridin-2-ylpiperazin-1-yl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766070
5-[(4-methylphenyl)sulfonylamino]-2-pyrrolidin-1-ylbenzoic acid
CID 169370562
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 42751709
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid
CID 46291639
2,4,6-trimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110412650
2,4,6-trimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 46268127
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99982592

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid (CID 46292237) is 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid is Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)O)c2)c(C)c1.
What is the InChIKey of 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid?
The InChIKey is ZBIAYRPYBDPMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13-10-14(2)19(15(3)11-13)28(25,26)21-16-4-5-18(17(12-16)20(23)24)22-6-8-27-9-7-22/h4-5,10-12,21H,6-9H2,1-3H3,(H,23,24).
What are the key properties of 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid?
2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid has a molecular weight of 404.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 46292237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).