3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid

C18H20N2O5S — CID 50767039

IUPAC3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C18H20N2O5S/c1-13-4-2-3-5-17(13)26(23,24)19-15-12-14(18(21)22)6-7-16(15)20-8-10-25-11-9-20/h2-7,12,19H,8-11H2,1H3,(H,21,22)
InChIKeyJGWUXGACKURASY-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.33
Rot. Bonds5

About 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid

3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid (PubChem CID 50767039) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
PubChem CID50767039
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C18H20N2O5S/c1-13-4-2-3-5-17(13)26(23,24)19-15-12-14(18(21)22)6-7-16(15)20-8-10-25-11-9-20/h2-7,12,19H,8-11H2,1H3,(H,21,22)
InChIKeyJGWUXGACKURASY-UHFFFAOYSA-N
XLogP2.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46291912
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46291945
3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 4806596
3-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 4806611
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
3-[(3-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146074114
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
3-[(2,4-dimethylphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46291737
3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46291928
3-[(2-methylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059259

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The IUPAC name of 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid (CID 50767039) is 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The canonical SMILES for 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid is Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1.
What is the InChIKey of 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
The InChIKey is JGWUXGACKURASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-4-2-3-5-17(13)26(23,24)19-15-12-14(18(21)22)6-7-16(15)20-8-10-25-11-9-20/h2-7,12,19H,8-11H2,1H3,(H,21,22).
What are the key properties of 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid?
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid has a molecular weight of 376.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 50767039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).