5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole

C23H13ClF2N4O3S2 — CID 157177126

IUPAC5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole
SMILESO=S(=O)(Cc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3nccnc3c2)cc1F
InChIInChI=1S/C23H13ClF2N4O3S2/c24-14-2-4-20(15(8-14)13-1-3-18-19(7-13)28-6-5-27-18)33-21-9-17(26)22(10-16(21)25)35(31,32)11-23-29-12-30-34-23/h1-10,12H,11H2
InChIKeyAODHTTLGNRKVED-UHFFFAOYSA-N
MW530.97 g/mol
LogP5.85
Rot. Bonds6

About 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole

5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole (PubChem CID 157177126) has the molecular formula C23H13ClF2N4O3S2 and a molecular weight of 530.97 g/mol. Its IUPAC name is 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole
PubChem CID157177126
Molecular FormulaC23H13ClF2N4O3S2
Molecular Weight530.97 g/mol
Exact Mass530.01
IUPAC Name5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole
SMILESO=S(=O)(Cc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3nccnc3c2)cc1F
InChIInChI=1S/C23H13ClF2N4O3S2/c24-14-2-4-20(15(8-14)13-1-3-18-19(7-13)28-6-5-27-18)33-21-9-17(26)22(10-16(21)25)35(31,32)11-23-29-12-30-34-23/h1-10,12H,11H2
InChIKeyAODHTTLGNRKVED-UHFFFAOYSA-N
XLogP5.85
TPSA94.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.97
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole 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 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole?
The IUPAC name of 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole (CID 157177126) is 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole is O=S(=O)(Cc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3nccnc3c2)cc1F.
What is the InChIKey of 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole?
The InChIKey is AODHTTLGNRKVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF2N4O3S2/c24-14-2-4-20(15(8-14)13-1-3-18-19(7-13)28-6-5-27-18)33-21-9-17(26)22(10-16(21)25)35(31,32)11-23-29-12-30-34-23/h1-10,12H,11H2.
What are the key properties of 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole?
5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole has a molecular weight of 530.97 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chloro-2-quinoxalin-6-ylphenoxy)-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 157177126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).