5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide

C20H17FN4O2S2 — CID 69351340

IUPAC5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccc2F)s1
InChIInChI=1S/C20H17FN4O2S2/c1-12-4-3-5-17(24-12)20-15(11-23-25-20)13-6-7-16(21)14(10-13)18-8-9-19(28-18)29(26,27)22-2/h3-11,22H,1-2H3,(H,23,25)
InChIKeyDVNLBRPZCBZROJ-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.22
Rot. Bonds5

About 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide

5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide (PubChem CID 69351340) has the molecular formula C20H17FN4O2S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide
PubChem CID69351340
Molecular FormulaC20H17FN4O2S2
Molecular Weight428.51 g/mol
Exact Mass428.08
IUPAC Name5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccc2F)s1
InChIInChI=1S/C20H17FN4O2S2/c1-12-4-3-5-17(24-12)20-15(11-23-25-20)13-6-7-16(21)14(10-13)18-8-9-19(28-18)29(26,27)22-2/h3-11,22H,1-2H3,(H,23,25)
InChIKeyDVNLBRPZCBZROJ-UHFFFAOYSA-N
XLogP4.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide (CID 69351340) is 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide is CNS(=O)(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccc2F)s1.
What is the InChIKey of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is DVNLBRPZCBZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S2/c1-12-4-3-5-17(24-12)20-15(11-23-25-20)13-6-7-16(21)14(10-13)18-8-9-19(28-18)29(26,27)22-2/h3-11,22H,1-2H3,(H,23,25).
What are the key properties of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide?
5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 69351340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).