4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid

C14H14N2O5S — CID 1093420

IUPAC4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H14N2O5S/c1-21-12-5-4-11(14(17)18)7-13(12)22(19,20)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyPAFZLKRPCVIIBQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.27
Rot. Bonds6

About 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid

4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid (PubChem CID 1093420) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
PubChem CID1093420
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H14N2O5S/c1-21-12-5-4-11(14(17)18)7-13(12)22(19,20)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyPAFZLKRPCVIIBQ-UHFFFAOYSA-N
XLogP1.27
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid (CID 1093420) is 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid?
The InChIKey is PAFZLKRPCVIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-21-12-5-4-11(14(17)18)7-13(12)22(19,20)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid?
4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid has a molecular weight of 322.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 1093420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).