6-(benzenesulfonyl)pyridine-3-sulfonamide

C11H10N2O4S2 — CID 819426

IUPAC6-(benzenesulfonyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C11H10N2O4S2/c12-19(16,17)10-6-7-11(13-8-10)18(14,15)9-4-2-1-3-5-9/h1-8H,(H2,12,16,17)
InChIKeyKHCMJVYVNAVKCU-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.56
Rot. Bonds3

About 6-(benzenesulfonyl)pyridine-3-sulfonamide

6-(benzenesulfonyl)pyridine-3-sulfonamide (PubChem CID 819426) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(benzenesulfonyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)pyridine-3-sulfonamide
PubChem CID819426
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name6-(benzenesulfonyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C11H10N2O4S2/c12-19(16,17)10-6-7-11(13-8-10)18(14,15)9-4-2-1-3-5-9/h1-8H,(H2,12,16,17)
InChIKeyKHCMJVYVNAVKCU-UHFFFAOYSA-N
XLogP0.56
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(benzenesulfonyl)pyridine-3-sulfonamide (CID 819426) is 6-(benzenesulfonyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(benzenesulfonyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(benzenesulfonyl)pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of 6-(benzenesulfonyl)pyridine-3-sulfonamide?
The InChIKey is KHCMJVYVNAVKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c12-19(16,17)10-6-7-11(13-8-10)18(14,15)9-4-2-1-3-5-9/h1-8H,(H2,12,16,17).
What are the key properties of 6-(benzenesulfonyl)pyridine-3-sulfonamide?
6-(benzenesulfonyl)pyridine-3-sulfonamide has a molecular weight of 298.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)pyridine-3-sulfonamide is sourced from PubChem (CID 819426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).