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

C18H10ClF3N4O3S2 — CID 71719268

IUPACN-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)s1)c1cc(F)c(Oc2ccc(F)cc2-c2cn[nH]c2)cc1F
InChIInChI=1S/C18H10ClF3N4O3S2/c19-17-8-23-18(30-17)26-31(27,28)16-5-12(21)15(4-13(16)22)29-14-2-1-10(20)3-11(14)9-6-24-25-7-9/h1-8H,(H,23,26)(H,24,25)
InChIKeyWJXVESSVZNHCHH-UHFFFAOYSA-N
MW486.88 g/mol
LogP5.20
Rot. Bonds6

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

N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide (PubChem CID 71719268) has the molecular formula C18H10ClF3N4O3S2 and a molecular weight of 486.88 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
PubChem CID71719268
Molecular FormulaC18H10ClF3N4O3S2
Molecular Weight486.88 g/mol
Exact Mass485.98
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)s1)c1cc(F)c(Oc2ccc(F)cc2-c2cn[nH]c2)cc1F
InChIInChI=1S/C18H10ClF3N4O3S2/c19-17-8-23-18(30-17)26-31(27,28)16-5-12(21)15(4-13(16)22)29-14-2-1-10(20)3-11(14)9-6-24-25-7-9/h1-8H,(H,23,26)(H,24,25)
InChIKeyWJXVESSVZNHCHH-UHFFFAOYSA-N
XLogP5.20
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide (CID 71719268) is N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide is O=S(=O)(Nc1ncc(Cl)s1)c1cc(F)c(Oc2ccc(F)cc2-c2cn[nH]c2)cc1F.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
The InChIKey is WJXVESSVZNHCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4O3S2/c19-17-8-23-18(30-17)26-31(27,28)16-5-12(21)15(4-13(16)22)29-14-2-1-10(20)3-11(14)9-6-24-25-7-9/h1-8H,(H,23,26)(H,24,25).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide has a molecular weight of 486.88 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 71719268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).