4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H12ClN5O3S2 — CID 71716184

IUPAC4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cnccn1
InChIInChI=1S/C20H12ClN5O3S2/c21-14-1-3-19(16(10-14)17-12-23-5-6-24-17)29-18-4-2-15(9-13(18)11-22)31(27,28)26-20-25-7-8-30-20/h1-10,12H,(H,25,26)
InChIKeyMQRBCUPFEBXZBQ-UHFFFAOYSA-N
MW469.94 g/mol
LogP4.72
Rot. Bonds6

About 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716184) has the molecular formula C20H12ClN5O3S2 and a molecular weight of 469.94 g/mol. Its IUPAC name is 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716184
Molecular FormulaC20H12ClN5O3S2
Molecular Weight469.94 g/mol
Exact Mass469.01
IUPAC Name4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cnccn1
InChIInChI=1S/C20H12ClN5O3S2/c21-14-1-3-19(16(10-14)17-12-23-5-6-24-17)29-18-4-2-15(9-13(18)11-22)31(27,28)26-20-25-7-8-30-20/h1-10,12H,(H,25,26)
InChIKeyMQRBCUPFEBXZBQ-UHFFFAOYSA-N
XLogP4.72
TPSA117.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.94
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-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-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716184) is 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cnccn1.
What is the InChIKey of 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MQRBCUPFEBXZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5O3S2/c21-14-1-3-19(16(10-14)17-12-23-5-6-24-17)29-18-4-2-15(9-13(18)11-22)31(27,28)26-20-25-7-8-30-20/h1-10,12H,(H,25,26).
What are the key properties of 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 469.94 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-pyrazin-2-ylphenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).