2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid

C19H22N2O6S — CID 71819378

IUPAC2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OC)c2C(=O)O)c1
InChIInChI=1S/C19H22N2O6S/c1-4-21(5-2)28(25,26)14-9-6-8-13(12-14)18(22)20-15-10-7-11-16(27-3)17(15)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyGYMURZKKAZXTFE-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.68
Rot. Bonds8

About 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid

2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid (PubChem CID 71819378) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid
PubChem CID71819378
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OC)c2C(=O)O)c1
InChIInChI=1S/C19H22N2O6S/c1-4-21(5-2)28(25,26)14-9-6-8-13(12-14)18(22)20-15-10-7-11-16(27-3)17(15)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyGYMURZKKAZXTFE-UHFFFAOYSA-N
XLogP2.68
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid (CID 71819378) is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(OC)c2C(=O)O)c1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid?
The InChIKey is GYMURZKKAZXTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-4-21(5-2)28(25,26)14-9-6-8-13(12-14)18(22)20-15-10-7-11-16(27-3)17(15)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid?
2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid has a molecular weight of 406.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-methoxybenzoic acid is sourced from PubChem (CID 71819378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).