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

C19H13ClF2N4O3S2 — CID 71720584

IUPAC5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCn1ccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)n1
InChIInChI=1S/C19H13ClF2N4O3S2/c1-26-5-4-15(24-26)12-6-11(21)2-3-16(12)29-17-8-14(22)18(7-13(17)20)31(27,28)25-19-9-30-10-23-19/h2-10,25H,1H3
InChIKeyHIVFYCNNPYXGPG-UHFFFAOYSA-N
MW482.92 g/mol
LogP5.07
Rot. Bonds6

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

5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 71720584) has the molecular formula C19H13ClF2N4O3S2 and a molecular weight of 482.92 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID71720584
Molecular FormulaC19H13ClF2N4O3S2
Molecular Weight482.92 g/mol
Exact Mass482.01
IUPAC Name5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCn1ccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)n1
InChIInChI=1S/C19H13ClF2N4O3S2/c1-26-5-4-15(24-26)12-6-11(21)2-3-16(12)29-17-8-14(22)18(7-13(17)20)31(27,28)25-19-9-30-10-23-19/h2-10,25H,1H3
InChIKeyHIVFYCNNPYXGPG-UHFFFAOYSA-N
XLogP5.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.92
LogP ≤ 55.07
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-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 71720584) is 5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide is Cn1ccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)n1.
What is the InChIKey of 5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is HIVFYCNNPYXGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4O3S2/c1-26-5-4-15(24-26)12-6-11(21)2-3-16(12)29-17-8-14(22)18(7-13(17)20)31(27,28)25-19-9-30-10-23-19/h2-10,25H,1H3.
What are the key properties of 5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-[4-fluoro-2-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 482.92 g/mol, XLogP of 5.07, 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-(1-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71720584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).