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

C20H11ClF3N5O3S2 — CID 71716189

IUPAC4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C20H11ClF3N5O3S2/c21-12-1-3-17(14(8-12)15-10-27-28-18(15)20(22,23)24)32-16-4-2-13(7-11(16)9-25)34(30,31)29-19-26-5-6-33-19/h1-8,10H,(H,26,29)(H,27,28)
InChIKeyKFRHOYGPHMFZCU-UHFFFAOYSA-N
MW525.92 g/mol
LogP5.67
Rot. Bonds6

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

4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716189) has the molecular formula C20H11ClF3N5O3S2 and a molecular weight of 525.92 g/mol. Its IUPAC name is 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716189
Molecular FormulaC20H11ClF3N5O3S2
Molecular Weight525.92 g/mol
Exact Mass524.99
IUPAC Name4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C20H11ClF3N5O3S2/c21-12-1-3-17(14(8-12)15-10-27-28-18(15)20(22,23)24)32-16-4-2-13(7-11(16)9-25)34(30,31)29-19-26-5-6-33-19/h1-8,10H,(H,26,29)(H,27,28)
InChIKeyKFRHOYGPHMFZCU-UHFFFAOYSA-N
XLogP5.67
TPSA120.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.92
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716189) is 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is KFRHOYGPHMFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF3N5O3S2/c21-12-1-3-17(14(8-12)15-10-27-28-18(15)20(22,23)24)32-16-4-2-13(7-11(16)9-25)34(30,31)29-19-26-5-6-33-19/h1-8,10H,(H,26,29)(H,27,28).
What are the key properties of 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 525.92 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).