cinnoline-3-sulfonamide

C8H7N3O2S — CID 54434387

IUPACcinnoline-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2nn1
InChIInChI=1S/C8H7N3O2S/c9-14(12,13)8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H2,9,12,13)
InChIKeyWJSKRJRBCPWILQ-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.28
Rot. Bonds1

About cinnoline-3-sulfonamide

cinnoline-3-sulfonamide (PubChem CID 54434387) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is cinnoline-3-sulfonamide.

Molecular Properties

Compound Namecinnoline-3-sulfonamide
PubChem CID54434387
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Namecinnoline-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2nn1
InChIInChI=1S/C8H7N3O2S/c9-14(12,13)8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H2,9,12,13)
InChIKeyWJSKRJRBCPWILQ-UHFFFAOYSA-N
XLogP0.28
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cinnoline-3-sulfonamide?
The IUPAC name of cinnoline-3-sulfonamide (CID 54434387) is cinnoline-3-sulfonamide.
What is the SMILES notation for cinnoline-3-sulfonamide?
The canonical SMILES for cinnoline-3-sulfonamide is NS(=O)(=O)c1cc2ccccc2nn1.
What is the InChIKey of cinnoline-3-sulfonamide?
The InChIKey is WJSKRJRBCPWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c9-14(12,13)8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H2,9,12,13).
What are the key properties of cinnoline-3-sulfonamide?
cinnoline-3-sulfonamide has a molecular weight of 209.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline-3-sulfonamide is sourced from PubChem (CID 54434387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).