3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid

C15H16N2O4S — CID 23647779

IUPAC3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccccn2)c(C(=O)O)c1C
InChIInChI=1S/C15H16N2O4S/c1-3-11-7-8-12(14(10(11)2)15(18)19)17-22(20,21)13-6-4-5-9-16-13/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyGSFILEPNYNVWFU-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.45
Rot. Bonds5

About 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid

3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid (PubChem CID 23647779) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
PubChem CID23647779
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccccn2)c(C(=O)O)c1C
InChIInChI=1S/C15H16N2O4S/c1-3-11-7-8-12(14(10(11)2)15(18)19)17-22(20,21)13-6-4-5-9-16-13/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyGSFILEPNYNVWFU-UHFFFAOYSA-N
XLogP2.45
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid (CID 23647779) is 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid is CCc1ccc(NS(=O)(=O)c2ccccn2)c(C(=O)O)c1C.
What is the InChIKey of 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
The InChIKey is GSFILEPNYNVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-11-7-8-12(14(10(11)2)15(18)19)17-22(20,21)13-6-4-5-9-16-13/h4-9,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid?
3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid has a molecular weight of 320.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-(pyridin-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 23647779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).