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

C17H10ClF2N5O3S2 — CID 71716294

IUPAC5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F
InChIInChI=1S/C17H10ClF2N5O3S2/c18-11-6-16(30(26,27)25-17-21-8-23-29-17)12(20)7-15(11)28-14-2-1-9(19)5-10(14)13-3-4-22-24-13/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyACDNEEDQMVRCLJ-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.45
Rot. Bonds6

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

5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716294) has the molecular formula C17H10ClF2N5O3S2 and a molecular weight of 469.88 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71716294
Molecular FormulaC17H10ClF2N5O3S2
Molecular Weight469.88 g/mol
Exact Mass468.99
IUPAC Name5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F
InChIInChI=1S/C17H10ClF2N5O3S2/c18-11-6-16(30(26,27)25-17-21-8-23-29-17)12(20)7-15(11)28-14-2-1-9(19)5-10(14)13-3-4-22-24-13/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyACDNEEDQMVRCLJ-UHFFFAOYSA-N
XLogP4.45
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
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-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716294) is 5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is ACDNEEDQMVRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N5O3S2/c18-11-6-16(30(26,27)25-17-21-8-23-29-17)12(20)7-15(11)28-14-2-1-9(19)5-10(14)13-3-4-22-24-13/h1-8H,(H,22,24)(H,21,23,25).
What are the key properties of 5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 469.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 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-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).