2-cyano-3-fluoro-N-methoxybenzenesulfonamide

C8H7FN2O3S — CID 64973997

IUPAC2-cyano-3-fluoro-N-methoxybenzenesulfonamide
SMILESCONS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C8H7FN2O3S/c1-14-11-15(12,13)8-4-2-3-7(9)6(8)5-10/h2-4,11H,1H3
InChIKeyCKLLDBAFXDDNSF-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.54
Rot. Bonds3

About 2-cyano-3-fluoro-N-methoxybenzenesulfonamide

2-cyano-3-fluoro-N-methoxybenzenesulfonamide (PubChem CID 64973997) has the molecular formula C8H7FN2O3S and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-methoxybenzenesulfonamide
PubChem CID64973997
Molecular FormulaC8H7FN2O3S
Molecular Weight230.22 g/mol
Exact Mass230.02
IUPAC Name2-cyano-3-fluoro-N-methoxybenzenesulfonamide
SMILESCONS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C8H7FN2O3S/c1-14-11-15(12,13)8-4-2-3-7(9)6(8)5-10/h2-4,11H,1H3
InChIKeyCKLLDBAFXDDNSF-UHFFFAOYSA-N
XLogP0.54
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-methoxybenzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-methoxybenzenesulfonamide (CID 64973997) is 2-cyano-3-fluoro-N-methoxybenzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-methoxybenzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-methoxybenzenesulfonamide is CONS(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-3-fluoro-N-methoxybenzenesulfonamide?
The InChIKey is CKLLDBAFXDDNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3S/c1-14-11-15(12,13)8-4-2-3-7(9)6(8)5-10/h2-4,11H,1H3.
What are the key properties of 2-cyano-3-fluoro-N-methoxybenzenesulfonamide?
2-cyano-3-fluoro-N-methoxybenzenesulfonamide has a molecular weight of 230.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-methoxybenzenesulfonamide is sourced from PubChem (CID 64973997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).