4-(pyridin-4-ylsulfamoyl)benzoic acid

C12H10N2O4S — CID 18071578

IUPAC4-(pyridin-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C12H10N2O4S/c15-12(16)9-1-3-11(4-2-9)19(17,18)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)(H,15,16)
InChIKeyQQNKGFIGOAHUQQ-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.58
Rot. Bonds4

About 4-(pyridin-4-ylsulfamoyl)benzoic acid

4-(pyridin-4-ylsulfamoyl)benzoic acid (PubChem CID 18071578) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(pyridin-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(pyridin-4-ylsulfamoyl)benzoic acid
PubChem CID18071578
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name4-(pyridin-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C12H10N2O4S/c15-12(16)9-1-3-11(4-2-9)19(17,18)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)(H,15,16)
InChIKeyQQNKGFIGOAHUQQ-UHFFFAOYSA-N
XLogP1.58
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(pyridin-4-ylsulfamoyl)benzoic acid (CID 18071578) is 4-(pyridin-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(pyridin-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(pyridin-4-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-(pyridin-4-ylsulfamoyl)benzoic acid?
The InChIKey is QQNKGFIGOAHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-12(16)9-1-3-11(4-2-9)19(17,18)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)(H,15,16).
What are the key properties of 4-(pyridin-4-ylsulfamoyl)benzoic acid?
4-(pyridin-4-ylsulfamoyl)benzoic acid has a molecular weight of 278.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 18071578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).