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

C18H20N2O6S — CID 71819381

IUPAC2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2C(=O)O)c1
InChIInChI=1S/C18H20N2O6S/c1-3-20(4-2)27(25,26)13-8-5-7-12(11-13)17(22)19-14-9-6-10-15(21)16(14)18(23)24/h5-11,21H,3-4H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyXZHBYDFQVWGKIC-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.37
Rot. Bonds7

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

2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid (PubChem CID 71819381) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid
PubChem CID71819381
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2C(=O)O)c1
InChIInChI=1S/C18H20N2O6S/c1-3-20(4-2)27(25,26)13-8-5-7-12(11-13)17(22)19-14-9-6-10-15(21)16(14)18(23)24/h5-11,21H,3-4H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyXZHBYDFQVWGKIC-UHFFFAOYSA-N
XLogP2.37
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid (CID 71819381) is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2C(=O)O)c1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid?
The InChIKey is XZHBYDFQVWGKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-20(4-2)27(25,26)13-8-5-7-12(11-13)17(22)19-14-9-6-10-15(21)16(14)18(23)24/h5-11,21H,3-4H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid?
2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid has a molecular weight of 392.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-6-hydroxybenzoic acid is sourced from PubChem (CID 71819381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).