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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Related Compounds

1-[5-(2-fluoro-3-pyridinyl)-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 25002635
(4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454906
1-[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67083994
N-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509138
2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 5309373
N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 20914801
2,5-dimethoxy-N-{1-[5-methyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]ethyl}benzenesulfonamide
CID 24790574
5-fluoro-N-{1-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-methylbenzenesulfonamide
CID 24791402
N-[(1R)-1-[4-(5-cyano-2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 50942312
N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 53318167
4-Fluoro-2-methoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1106582
US10370333, Example XI-31
CID 71724736

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).