3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide

C12H11FN2O3S — CID 56706302

IUPAC3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ncccc1-c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H11FN2O3S/c1-18-12-10(3-2-6-15-12)9-5-4-8(7-11(9)13)19(14,16)17/h2-7H,1H3,(H2,14,16,17)
InChIKeyBOWLJMNTRCJUSI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.54
Rot. Bonds3

About 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide

3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 56706302) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID56706302
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ncccc1-c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H11FN2O3S/c1-18-12-10(3-2-6-15-12)9-5-4-8(7-11(9)13)19(14,16)17/h2-7H,1H3,(H2,14,16,17)
InChIKeyBOWLJMNTRCJUSI-UHFFFAOYSA-N
XLogP1.54
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide (CID 56706302) is 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide is COc1ncccc1-c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is BOWLJMNTRCJUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-18-12-10(3-2-6-15-12)9-5-4-8(7-11(9)13)19(14,16)17/h2-7H,1H3,(H2,14,16,17).
What are the key properties of 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide?
3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 56706302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).