N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide

C24H16ClF3N4O4S — CID 170341916

IUPACN-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc2cc(-c3ccc(Oc4cc(Cl)c(OCC(F)(F)F)c(C#N)c4)cc3)ccc2n1
InChIInChI=1S/C24H16ClF3N4O4S/c1-37(33,34)32-22-12-30-21-9-15(4-7-20(21)31-22)14-2-5-17(6-3-14)36-18-8-16(11-29)23(19(25)10-18)35-13-24(26,27)28/h2-10,12H,13H2,1H3,(H,31,32)
InChIKeyRKDXLYNGQFVSOZ-UHFFFAOYSA-N
MW548.93 g/mol
LogP5.93
Rot. Bonds7

About N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide

N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide (PubChem CID 170341916) has the molecular formula C24H16ClF3N4O4S and a molecular weight of 548.93 g/mol. Its IUPAC name is N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide
PubChem CID170341916
Molecular FormulaC24H16ClF3N4O4S
Molecular Weight548.93 g/mol
Exact Mass548.05
IUPAC NameN-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnc2cc(-c3ccc(Oc4cc(Cl)c(OCC(F)(F)F)c(C#N)c4)cc3)ccc2n1
InChIInChI=1S/C24H16ClF3N4O4S/c1-37(33,34)32-22-12-30-21-9-15(4-7-20(21)31-22)14-2-5-17(6-3-14)36-18-8-16(11-29)23(19(25)10-18)35-13-24(26,27)28/h2-10,12H,13H2,1H3,(H,31,32)
InChIKeyRKDXLYNGQFVSOZ-UHFFFAOYSA-N
XLogP5.93
TPSA114.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.93
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide 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 N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide (CID 170341916) is N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide is CS(=O)(=O)Nc1cnc2cc(-c3ccc(Oc4cc(Cl)c(OCC(F)(F)F)c(C#N)c4)cc3)ccc2n1.
What is the InChIKey of N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide?
The InChIKey is RKDXLYNGQFVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O4S/c1-37(33,34)32-22-12-30-21-9-15(4-7-20(21)31-22)14-2-5-17(6-3-14)36-18-8-16(11-29)23(19(25)10-18)35-13-24(26,27)28/h2-10,12H,13H2,1H3,(H,31,32).
What are the key properties of N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide?
N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide has a molecular weight of 548.93 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[3-chloro-5-cyano-4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 170341916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).