5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C17H17FN4O3S — CID 71807868

IUPAC5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C17H17FN4O3S/c1-25-16-3-2-14(18)12-17(16)26(23,24)20-9-11-22-10-6-15(21-22)13-4-7-19-8-5-13/h2-8,10,12,20H,9,11H2,1H3
InChIKeyFZTYHZZBOPJZQF-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.07
Rot. Bonds7

About 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 71807868) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID71807868
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C17H17FN4O3S/c1-25-16-3-2-14(18)12-17(16)26(23,24)20-9-11-22-10-6-15(21-22)13-4-7-19-8-5-13/h2-8,10,12,20H,9,11H2,1H3
InChIKeyFZTYHZZBOPJZQF-UHFFFAOYSA-N
XLogP2.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 71807868) is 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is FZTYHZZBOPJZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-25-16-3-2-14(18)12-17(16)26(23,24)20-9-11-22-10-6-15(21-22)13-4-7-19-8-5-13/h2-8,10,12,20H,9,11H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71807868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).