3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C18H11F4N5O3S2 — CID 71716199

IUPAC3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H11F4N5O3S2/c19-13-8-12(32(28,29)26-17-23-10-24-31-17)6-7-14(13)30-16-9-15(18(20,21)22)25-27(16)11-4-2-1-3-5-11/h1-10H,(H,23,24,26)
InChIKeyQEEWZPPBEKHAQP-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.47
Rot. Bonds6

About 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716199) has the molecular formula C18H11F4N5O3S2 and a molecular weight of 485.44 g/mol. Its IUPAC name is 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71716199
Molecular FormulaC18H11F4N5O3S2
Molecular Weight485.44 g/mol
Exact Mass485.02
IUPAC Name3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1
InChIInChI=1S/C18H11F4N5O3S2/c19-13-8-12(32(28,29)26-17-23-10-24-31-17)6-7-14(13)30-16-9-15(18(20,21)22)25-27(16)11-4-2-1-3-5-11/h1-10H,(H,23,24,26)
InChIKeyQEEWZPPBEKHAQP-UHFFFAOYSA-N
XLogP4.47
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716199) is 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is QEEWZPPBEKHAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O3S2/c19-13-8-12(32(28,29)26-17-23-10-24-31-17)6-7-14(13)30-16-9-15(18(20,21)22)25-27(16)11-4-2-1-3-5-11/h1-10H,(H,23,24,26).
What are the key properties of 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 485.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).