3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H15FN4O3S2 — CID 71716190

IUPAC3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C19H15FN4O3S2/c1-13-11-18(24(22-13)14-5-3-2-4-6-14)27-17-8-7-15(12-16(17)20)29(25,26)23-19-21-9-10-28-19/h2-12H,1H3,(H,21,23)
InChIKeyFJPXRCCWZUZDJM-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.37
Rot. Bonds6

About 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716190) has the molecular formula C19H15FN4O3S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716190
Molecular FormulaC19H15FN4O3S2
Molecular Weight430.49 g/mol
Exact Mass430.06
IUPAC Name3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C19H15FN4O3S2/c1-13-11-18(24(22-13)14-5-3-2-4-6-14)27-17-8-7-15(12-16(17)20)29(25,26)23-19-21-9-10-28-19/h2-12H,1H3,(H,21,23)
InChIKeyFJPXRCCWZUZDJM-UHFFFAOYSA-N
XLogP4.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716190) is 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)n(-c2ccccc2)n1.
What is the InChIKey of 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FJPXRCCWZUZDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S2/c1-13-11-18(24(22-13)14-5-3-2-4-6-14)27-17-8-7-15(12-16(17)20)29(25,26)23-19-21-9-10-28-19/h2-12H,1H3,(H,21,23).
What are the key properties of 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).