6-(benzenesulfonamido)pyridine-2-carboxylic acid

C12H10N2O4S — CID 5263740

IUPAC6-(benzenesulfonamido)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H10N2O4S/c15-12(16)10-7-4-8-11(13-10)14-19(17,18)9-5-2-1-3-6-9/h1-8H,(H,13,14)(H,15,16)
InChIKeyKKKHYMAUZNVXIJ-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.58
Rot. Bonds4

About 6-(benzenesulfonamido)pyridine-2-carboxylic acid

6-(benzenesulfonamido)pyridine-2-carboxylic acid (PubChem CID 5263740) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 6-(benzenesulfonamido)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(benzenesulfonamido)pyridine-2-carboxylic acid
PubChem CID5263740
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name6-(benzenesulfonamido)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H10N2O4S/c15-12(16)10-7-4-8-11(13-10)14-19(17,18)9-5-2-1-3-6-9/h1-8H,(H,13,14)(H,15,16)
InChIKeyKKKHYMAUZNVXIJ-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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Related Compounds

6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263728
6-[(5-methylthiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263723
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643093
6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 55249907
6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643790
CID 91986542
CID 91986542
6-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63641694
6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid
CID 127257782
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63642577
N-[5-[6-(benzenesulfonamido)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24861343
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide
CID 170397854

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamido)pyridine-2-carboxylic acid?
The IUPAC name of 6-(benzenesulfonamido)pyridine-2-carboxylic acid (CID 5263740) is 6-(benzenesulfonamido)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(benzenesulfonamido)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(benzenesulfonamido)pyridine-2-carboxylic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 6-(benzenesulfonamido)pyridine-2-carboxylic acid?
The InChIKey is KKKHYMAUZNVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-12(16)10-7-4-8-11(13-10)14-19(17,18)9-5-2-1-3-6-9/h1-8H,(H,13,14)(H,15,16).
What are the key properties of 6-(benzenesulfonamido)pyridine-2-carboxylic acid?
6-(benzenesulfonamido)pyridine-2-carboxylic 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 6-(benzenesulfonamido)pyridine-2-carboxylic acid is sourced from PubChem (CID 5263740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).