3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

C18H15N3O4S — CID 56864479

IUPAC3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccncc2)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H15N3O4S/c22-18(23)15-9-14(13-4-7-19-8-5-13)10-17(11-15)26(24,25)21-12-16-3-1-2-6-20-16/h1-11,21H,12H2,(H,22,23)
InChIKeyUGPJNTHQCJCFGT-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.32
Rot. Bonds6

About 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 56864479) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
PubChem CID56864479
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccncc2)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H15N3O4S/c22-18(23)15-9-14(13-4-7-19-8-5-13)10-17(11-15)26(24,25)21-12-16-3-1-2-6-20-16/h1-11,21H,12H2,(H,22,23)
InChIKeyUGPJNTHQCJCFGT-UHFFFAOYSA-N
XLogP2.32
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (CID 56864479) is 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(-c2ccncc2)cc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is UGPJNTHQCJCFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-18(23)15-9-14(13-4-7-19-8-5-13)10-17(11-15)26(24,25)21-12-16-3-1-2-6-20-16/h1-11,21H,12H2,(H,22,23).
What are the key properties of 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 369.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 56864479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).