4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C20H11ClF2N6O3S2 — CID 71559364

IUPAC4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ncc3cnccn23)cc1F
InChIInChI=1S/C20H11ClF2N6O3S2/c21-11-1-2-16(13(5-11)19-25-9-12-8-24-3-4-29(12)19)32-17-6-15(23)18(7-14(17)22)34(30,31)28-20-26-10-27-33-20/h1-10H,(H,26,27,28)
InChIKeyXQGSUSFVPPFJIO-UHFFFAOYSA-N
MW520.93 g/mol
LogP4.77
Rot. Bonds6

About 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71559364) has the molecular formula C20H11ClF2N6O3S2 and a molecular weight of 520.93 g/mol. Its IUPAC name is 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71559364
Molecular FormulaC20H11ClF2N6O3S2
Molecular Weight520.93 g/mol
Exact Mass520.00
IUPAC Name4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ncc3cnccn23)cc1F
InChIInChI=1S/C20H11ClF2N6O3S2/c21-11-1-2-16(13(5-11)19-25-9-12-8-24-3-4-29(12)19)32-17-6-15(23)18(7-14(17)22)34(30,31)28-20-26-10-27-33-20/h1-10H,(H,26,27,28)
InChIKeyXQGSUSFVPPFJIO-UHFFFAOYSA-N
XLogP4.77
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.93
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-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

Related Compounds

4-(4-chloro-2-pyridin-4-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141441697
4-[2-(6-amino-2-pyridinyl)-4-chlorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71719317
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716313
4-[2-(6-amino-2-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716293
4-[4-(difluoromethoxy)-2-(1H-pyrazol-4-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716882
3-[[4-[5-chloro-2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]-2-pyridinyl]methylamino]propanoic acid
CID 90460813
5-chloro-2-fluoro-4-[4-fluoro-2-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 57494823
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716265
N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
CID 71719268
1-[3-[5-chloro-2-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]propyl]-2-methylpiperidine-4-carboxylic acid
CID 142731516
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716866
4-[[(1R,2R,5S)-2-(4-chlorophenyl)-5-hydroxycyclohexyl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71559327

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71559364) is 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ncc3cnccn23)cc1F.
What is the InChIKey of 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is XQGSUSFVPPFJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N6O3S2/c21-11-1-2-16(13(5-11)19-25-9-12-8-24-3-4-29(12)19)32-17-6-15(23)18(7-14(17)22)34(30,31)28-20-26-10-27-33-20/h1-10H,(H,26,27,28).
What are the key properties of 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 520.93 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71559364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).