3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H15FN4O3S2 — CID 59436623

IUPAC3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F
InChIInChI=1S/C19H15FN4O3S2/c1-24-16(8-9-22-24)14-4-2-3-5-17(14)27-18-7-6-13(12-15(18)20)29(25,26)23-19-21-10-11-28-19/h2-12H,1H3,(H,21,23)
InChIKeyKROXVBWGZNSHHN-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.28
Rot. Bonds6

About 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59436623) has the molecular formula C19H15FN4O3S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59436623
Molecular FormulaC19H15FN4O3S2
Molecular Weight430.49 g/mol
Exact Mass430.06
IUPAC Name3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F
InChIInChI=1S/C19H15FN4O3S2/c1-24-16(8-9-22-24)14-4-2-3-5-17(14)27-18-7-6-13(12-15(18)20)29(25,26)23-19-21-10-11-28-19/h2-12H,1H3,(H,21,23)
InChIKeyKROXVBWGZNSHHN-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59436623) is 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F.
What is the InChIKey of 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is KROXVBWGZNSHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S2/c1-24-16(8-9-22-24)14-4-2-3-5-17(14)27-18-7-6-13(12-15(18)20)29(25,26)23-19-21-10-11-28-19/h2-12H,1H3,(H,21,23).
What are the key properties of 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59436623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).