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

C19H11ClFN5O3S2 — CID 46840816

IUPACN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1cn[nH]c1
InChIInChI=1S/C19H11ClFN5O3S2/c20-18-10-23-19(30-18)26-31(27,28)14-2-4-16(11(5-14)7-22)29-17-3-1-13(21)6-15(17)12-8-24-25-9-12/h1-6,8-10H,(H,23,26)(H,24,25)
InChIKeyZKRUKKZCDGSWCH-UHFFFAOYSA-N
MW475.91 g/mol
LogP4.79
Rot. Bonds6

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

N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide (PubChem CID 46840816) has the molecular formula C19H11ClFN5O3S2 and a molecular weight of 475.91 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
PubChem CID46840816
Molecular FormulaC19H11ClFN5O3S2
Molecular Weight475.91 g/mol
Exact Mass475.00
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1cn[nH]c1
InChIInChI=1S/C19H11ClFN5O3S2/c20-18-10-23-19(30-18)26-31(27,28)14-2-4-16(11(5-14)7-22)29-17-3-1-13(21)6-15(17)12-8-24-25-9-12/h1-6,8-10H,(H,23,26)(H,24,25)
InChIKeyZKRUKKZCDGSWCH-UHFFFAOYSA-N
XLogP4.79
TPSA120.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide (CID 46840816) is N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1cn[nH]c1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
The InChIKey is ZKRUKKZCDGSWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5O3S2/c20-18-10-23-19(30-18)26-31(27,28)14-2-4-16(11(5-14)7-22)29-17-3-1-13(21)6-15(17)12-8-24-25-9-12/h1-6,8-10H,(H,23,26)(H,24,25).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide?
N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide has a molecular weight of 475.91 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 46840816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).