[5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate

C13H10N2O6S — CID 67749507

IUPAC[5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H10N2O6S/c16-12(9-6-7-11(14-8-9)21-13(17)18)15-22(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)
InChIKeyINOSSWVQHOGSIB-UHFFFAOYSA-N
MW322.30 g/mol
LogP1.26
Rot. Bonds4

About [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate

[5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 67749507) has the molecular formula C13H10N2O6S and a molecular weight of 322.30 g/mol. Its IUPAC name is [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate
PubChem CID67749507
Molecular FormulaC13H10N2O6S
Molecular Weight322.30 g/mol
Exact Mass322.03
IUPAC Name[5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H10N2O6S/c16-12(9-6-7-11(14-8-9)21-13(17)18)15-22(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)
InChIKeyINOSSWVQHOGSIB-UHFFFAOYSA-N
XLogP1.26
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate (CID 67749507) is [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate is O=C(O)Oc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is INOSSWVQHOGSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6S/c16-12(9-6-7-11(14-8-9)21-13(17)18)15-22(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18).
What are the key properties of [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate?
[5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 322.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonylcarbamoyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67749507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).