4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C20H11ClF2N6O4S2 — CID 71557176

IUPAC4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n2cncc12
InChIInChI=1S/C20H11ClF2N6O4S2/c21-10-1-2-16(11(3-10)14-7-25-19(30)15-6-24-9-29(14)15)33-17-4-13(23)18(5-12(17)22)35(31,32)28-20-26-8-27-34-20/h1-9H,(H,25,30)(H,26,27,28)
InChIKeyFDNUZWJGGGHNEE-UHFFFAOYSA-N
MW536.93 g/mol
LogP4.07
Rot. Bonds6

About 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71557176) has the molecular formula C20H11ClF2N6O4S2 and a molecular weight of 536.93 g/mol. Its IUPAC name is 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71557176
Molecular FormulaC20H11ClF2N6O4S2
Molecular Weight536.93 g/mol
Exact Mass535.99
IUPAC Name4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n2cncc12
InChIInChI=1S/C20H11ClF2N6O4S2/c21-10-1-2-16(11(3-10)14-7-25-19(30)15-6-24-9-29(14)15)33-17-4-13(23)18(5-12(17)22)35(31,32)28-20-26-8-27-34-20/h1-9H,(H,25,30)(H,26,27,28)
InChIKeyFDNUZWJGGGHNEE-UHFFFAOYSA-N
XLogP4.07
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.93
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-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 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71557176) is 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=c1[nH]cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n2cncc12.
What is the InChIKey of 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is FDNUZWJGGGHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N6O4S2/c21-10-1-2-16(11(3-10)14-7-25-19(30)15-6-24-9-29(14)15)33-17-4-13(23)18(5-12(17)22)35(31,32)28-20-26-8-27-34-20/h1-9H,(H,25,30)(H,26,27,28).
What are the key properties of 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 536.93 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(8-oxo-7H-imidazo[1,5-a]pyrazin-5-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71557176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).