2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid

C18H18N2O6S — CID 1099241

IUPAC2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18N2O6S/c21-17(19-16-7-2-1-6-15(16)18(22)23)13-4-3-5-14(12-13)27(24,25)20-8-10-26-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23)
InChIKeyNJZDOFVELZGWJL-UHFFFAOYSA-N
MW390.42 g/mol
LogP1.66
Rot. Bonds5

About 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid

2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid (PubChem CID 1099241) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
PubChem CID1099241
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H18N2O6S/c21-17(19-16-7-2-1-6-15(16)18(22)23)13-4-3-5-14(12-13)27(24,25)20-8-10-26-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23)
InChIKeyNJZDOFVELZGWJL-UHFFFAOYSA-N
XLogP1.66
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid (CID 1099241) is 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
The InChIKey is NJZDOFVELZGWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c21-17(19-16-7-2-1-6-15(16)18(22)23)13-4-3-5-14(12-13)27(24,25)20-8-10-26-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23).
What are the key properties of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid has a molecular weight of 390.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 1099241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).