3-fluoro-2-formyl-5-methoxybenzenesulfonamide

C8H8FNO4S — CID 89218777

IUPAC3-fluoro-2-formyl-5-methoxybenzenesulfonamide
SMILESCOc1cc(F)c(C=O)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H8FNO4S/c1-14-5-2-7(9)6(4-11)8(3-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13)
InChIKeyRBPQQDMAEPQLMM-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.29
Rot. Bonds3

About 3-fluoro-2-formyl-5-methoxybenzenesulfonamide

3-fluoro-2-formyl-5-methoxybenzenesulfonamide (PubChem CID 89218777) has the molecular formula C8H8FNO4S and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-fluoro-2-formyl-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-formyl-5-methoxybenzenesulfonamide
PubChem CID89218777
Molecular FormulaC8H8FNO4S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name3-fluoro-2-formyl-5-methoxybenzenesulfonamide
SMILESCOc1cc(F)c(C=O)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H8FNO4S/c1-14-5-2-7(9)6(4-11)8(3-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13)
InChIKeyRBPQQDMAEPQLMM-UHFFFAOYSA-N
XLogP0.29
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-formyl-5-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-2-formyl-5-methoxybenzenesulfonamide (CID 89218777) is 3-fluoro-2-formyl-5-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-formyl-5-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-2-formyl-5-methoxybenzenesulfonamide is COc1cc(F)c(C=O)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-fluoro-2-formyl-5-methoxybenzenesulfonamide?
The InChIKey is RBPQQDMAEPQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4S/c1-14-5-2-7(9)6(4-11)8(3-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13).
What are the key properties of 3-fluoro-2-formyl-5-methoxybenzenesulfonamide?
3-fluoro-2-formyl-5-methoxybenzenesulfonamide has a molecular weight of 233.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-formyl-5-methoxybenzenesulfonamide is sourced from PubChem (CID 89218777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).