6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid

C13H13N3O4S — CID 53229646

IUPAC6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C13H13N3O4S/c1-21(19,20)16-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(17)18/h2-7,16H,1H3,(H2,14,15)(H,17,18)
InChIKeyPKLYNUITXUZYCM-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.40
Rot. Bonds4

About 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid

6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid (PubChem CID 53229646) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
PubChem CID53229646
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C13H13N3O4S/c1-21(19,20)16-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(17)18/h2-7,16H,1H3,(H2,14,15)(H,17,18)
InChIKeyPKLYNUITXUZYCM-UHFFFAOYSA-N
XLogP1.40
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid (CID 53229646) is 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid is CS(=O)(=O)Nc1cccc(-c2ccc(N)nc2C(=O)O)c1.
What is the InChIKey of 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid?
The InChIKey is PKLYNUITXUZYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-21(19,20)16-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(17)18/h2-7,16H,1H3,(H2,14,15)(H,17,18).
What are the key properties of 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid?
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53229646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).