5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C20H15ClF2N4O3S2 — CID 71718786

IUPAC5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1scnc1NS(=O)(=O)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2C)cc1F
InChIInChI=1S/C20H15ClF2N4O3S2/c1-11-20(24-10-31-11)26-32(28,29)19-8-14(21)18(9-15(19)23)30-17-4-3-12(22)7-13(17)16-5-6-25-27(16)2/h3-10,26H,1-2H3
InChIKeyQHOYKLBRZUKUEE-UHFFFAOYSA-N
MW496.95 g/mol
LogP5.38
Rot. Bonds6

About 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide

5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 71718786) has the molecular formula C20H15ClF2N4O3S2 and a molecular weight of 496.95 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID71718786
Molecular FormulaC20H15ClF2N4O3S2
Molecular Weight496.95 g/mol
Exact Mass496.02
IUPAC Name5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1scnc1NS(=O)(=O)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2C)cc1F
InChIInChI=1S/C20H15ClF2N4O3S2/c1-11-20(24-10-31-11)26-32(28,29)19-8-14(21)18(9-15(19)23)30-17-4-3-12(22)7-13(17)16-5-6-25-27(16)2/h3-10,26H,1-2H3
InChIKeyQHOYKLBRZUKUEE-UHFFFAOYSA-N
XLogP5.38
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 71718786) is 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide is Cc1scnc1NS(=O)(=O)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2C)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is QHOYKLBRZUKUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O3S2/c1-11-20(24-10-31-11)26-32(28,29)19-8-14(21)18(9-15(19)23)30-17-4-3-12(22)7-13(17)16-5-6-25-27(16)2/h3-10,26H,1-2H3.
What are the key properties of 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 496.95 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71718786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).