2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid

C19H20N2O6S — CID 1251752

IUPAC2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H20N2O6S/c1-13-6-7-14(28(25,26)21-8-10-27-11-9-21)12-16(13)18(22)20-17-5-3-2-4-15(17)19(23)24/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyMADRASOTIWMGDQ-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.97
Rot. Bonds5

About 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid

2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid (PubChem CID 1251752) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
PubChem CID1251752
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C19H20N2O6S/c1-13-6-7-14(28(25,26)21-8-10-27-11-9-21)12-16(13)18(22)20-17-5-3-2-4-15(17)19(23)24/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyMADRASOTIWMGDQ-UHFFFAOYSA-N
XLogP1.97
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid (CID 1251752) is 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
The InChIKey is MADRASOTIWMGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-13-6-7-14(28(25,26)21-8-10-27-11-9-21)12-16(13)18(22)20-17-5-3-2-4-15(17)19(23)24/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid?
2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid has a molecular weight of 404.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 1251752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).