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

C20H16F2N4O3S2 — CID 71716233

IUPAC2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1Oc1ccc(F)cc1-c1ccnn1C
InChIInChI=1S/C20H16F2N4O3S2/c1-12-7-19(31(27,28)25-20-10-30-11-23-20)15(22)9-18(12)29-17-4-3-13(21)8-14(17)16-5-6-24-26(16)2/h3-11,25H,1-2H3
InChIKeyQIWNKFLKLVDLCE-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.72
Rot. Bonds6

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

2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 71716233) has the molecular formula C20H16F2N4O3S2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID71716233
Molecular FormulaC20H16F2N4O3S2
Molecular Weight462.50 g/mol
Exact Mass462.06
IUPAC Name2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1Oc1ccc(F)cc1-c1ccnn1C
InChIInChI=1S/C20H16F2N4O3S2/c1-12-7-19(31(27,28)25-20-10-30-11-23-20)15(22)9-18(12)29-17-4-3-13(21)8-14(17)16-5-6-24-26(16)2/h3-11,25H,1-2H3
InChIKeyQIWNKFLKLVDLCE-UHFFFAOYSA-N
XLogP4.72
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyano-4-(2-(1-methyl-1H-pyrazol-5-yl)phenoxy)-N-(thiazol-2-yl)benzenesulfonamide
CID 71718072
4-(4-chloro-2-(1-(1-ethylazetidin-3-yl)-1H-pyrazol-5-yl)phenoxy)-3-cyano-N-(thiazol-4-yl)benzenesulfonamide
CID 46841648
(4R)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156022265
3-cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-1,3-thiazol-2-ylbenzenesulfonamide
CID 46840814
4-[2-(1-Azetidin-3-yl-1H-pyrazol-5-yl)-4-fluorophenoxy]-5-chloro-2-flouro-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 46841354
2,5-Difluoro-4-{2-[1-(1-methylazetidin-3-yl)-1H-pyrazol-5-yl]-4-(trifluoromethyl)phenoxy}-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 46841647
5-Chloro-2-fluoro-4-{4-fluoro-2-[1-(1-methylazetidin-3-yl)-1H-pyrazol-5-yl]phenoxy}-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 57494824
4-[2-(1-azetidin-3-yl-1H-pyrazol-5-yl)-4-chlorophenoxy]-3-cyano-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 57494825
3-cyano-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 59436531
4-[4-[2-tert-butyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59436587
2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59436597
4-[4-Chloro-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-3-cyano-N-1,3-thiazol-2-ylbenzenesulfonamide
CID 59436599

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 71716233) is 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1Oc1ccc(F)cc1-c1ccnn1C.
What is the InChIKey of 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is QIWNKFLKLVDLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3S2/c1-12-7-19(31(27,28)25-20-10-30-11-23-20)15(22)9-18(12)29-17-4-3-13(21)8-14(17)16-5-6-24-26(16)2/h3-11,25H,1-2H3.
What are the key properties of 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 462.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71716233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).