4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide

C12H11FN2O3S — CID 934705

IUPAC4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1F
InChIInChI=1S/C12H11FN2O3S/c1-18-12-8-10(2-3-11(12)13)19(16,17)15-9-4-6-14-7-5-9/h2-8H,1H3,(H,14,15)
InChIKeySVMJGTPCPPSBGO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.03
Rot. Bonds4

About 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide

4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 934705) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
PubChem CID934705
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1F
InChIInChI=1S/C12H11FN2O3S/c1-18-12-8-10(2-3-11(12)13)19(16,17)15-9-4-6-14-7-5-9/h2-8H,1H3,(H,14,15)
InChIKeySVMJGTPCPPSBGO-UHFFFAOYSA-N
XLogP2.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide (CID 934705) is 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccncc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is SVMJGTPCPPSBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-18-12-8-10(2-3-11(12)13)19(16,17)15-9-4-6-14-7-5-9/h2-8H,1H3,(H,14,15).
What are the key properties of 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 934705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).