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

C17H10F3N5O3S2 — CID 71719314

IUPAC2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F
InChIInChI=1S/C17H10F3N5O3S2/c18-9-1-2-14(10(5-9)13-3-4-22-24-13)28-15-6-12(20)16(7-11(15)19)30(26,27)25-17-21-8-23-29-17/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyYERKLTCSPSBMQY-UHFFFAOYSA-N
MW453.43 g/mol
LogP3.94
Rot. Bonds6

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

2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71719314) has the molecular formula C17H10F3N5O3S2 and a molecular weight of 453.43 g/mol. Its IUPAC name is 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71719314
Molecular FormulaC17H10F3N5O3S2
Molecular Weight453.43 g/mol
Exact Mass453.02
IUPAC Name2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F
InChIInChI=1S/C17H10F3N5O3S2/c18-9-1-2-14(10(5-9)13-3-4-22-24-13)28-15-6-12(20)16(7-11(15)19)30(26,27)25-17-21-8-23-29-17/h1-8H,(H,22,24)(H,21,23,25)
InChIKeyYERKLTCSPSBMQY-UHFFFAOYSA-N
XLogP3.94
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71719314) is 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccn[nH]2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is YERKLTCSPSBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O3S2/c18-9-1-2-14(10(5-9)13-3-4-22-24-13)28-15-6-12(20)16(7-11(15)19)30(26,27)25-17-21-8-23-29-17/h1-8H,(H,22,24)(H,21,23,25).
What are the key properties of 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 453.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71719314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).