5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide

C19H12ClF4N5O3S2 — CID 71717432

IUPAC5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCn1nccc1-c1nc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl
InChIInChI=1S/C19H12ClF4N5O3S2/c1-29-12(4-5-26-29)18-13(2-3-16(27-18)19(22,23)24)32-14-7-11(21)15(6-10(14)20)34(30,31)28-17-8-33-9-25-17/h2-9,28H,1H3
InChIKeyNEQWANUCZNWNFZ-UHFFFAOYSA-N
MW533.92 g/mol
LogP5.34
Rot. Bonds6

About 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide

5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 71717432) has the molecular formula C19H12ClF4N5O3S2 and a molecular weight of 533.92 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID71717432
Molecular FormulaC19H12ClF4N5O3S2
Molecular Weight533.92 g/mol
Exact Mass533.00
IUPAC Name5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCn1nccc1-c1nc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl
InChIInChI=1S/C19H12ClF4N5O3S2/c1-29-12(4-5-26-29)18-13(2-3-16(27-18)19(22,23)24)32-14-7-11(21)15(6-10(14)20)34(30,31)28-17-8-33-9-25-17/h2-9,28H,1H3
InChIKeyNEQWANUCZNWNFZ-UHFFFAOYSA-N
XLogP5.34
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.92
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 71717432) is 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide is Cn1nccc1-c1nc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is NEQWANUCZNWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N5O3S2/c1-29-12(4-5-26-29)18-13(2-3-16(27-18)19(22,23)24)32-14-7-11(21)15(6-10(14)20)34(30,31)28-17-8-33-9-25-17/h2-9,28H,1H3.
What are the key properties of 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 533.92 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[[2-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71717432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).