N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide

C23H18Cl2N4O2S — CID 67987235

IUPACN-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide
SMILESC=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H18Cl2N4O2S/c1-14(17-9-7-16(12-20(17)25)29-32(2,30)31)27-15-8-10-19(24)18(11-15)23-13-26-21-5-3-4-6-22(21)28-23/h3-13,27,29H,1H2,2H3
InChIKeyKNAZVFHQGIFZLY-UHFFFAOYSA-N
MW485.40 g/mol
LogP6.06
Rot. Bonds6

About N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide

N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide (PubChem CID 67987235) has the molecular formula C23H18Cl2N4O2S and a molecular weight of 485.40 g/mol. Its IUPAC name is N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide
PubChem CID67987235
Molecular FormulaC23H18Cl2N4O2S
Molecular Weight485.40 g/mol
Exact Mass484.05
IUPAC NameN-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide
SMILESC=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H18Cl2N4O2S/c1-14(17-9-7-16(12-20(17)25)29-32(2,30)31)27-15-8-10-19(24)18(11-15)23-13-26-21-5-3-4-6-22(21)28-23/h3-13,27,29H,1H2,2H3
InChIKeyKNAZVFHQGIFZLY-UHFFFAOYSA-N
XLogP6.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 59826557
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90023188
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 59826546
(2E,4E)-N-(4-chloro-3-quinoxalin-2-ylphenyl)-6,6,6-trifluoro-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienamide;ethane
CID 143264518
2-chloro-4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 99951407
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 59826588
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 59826576
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 59826586
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
N-[4-(6-chloroquinoxalin-2-yl)phenyl]methanesulfonamide
CID 159141337
[2-[(4-chloro-3-quinoxalin-2-ylphenyl)carbamoyl]-5-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]chloranium
CID 163491843
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide (CID 67987235) is N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide is C=C(Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1)c1ccc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide?
The InChIKey is KNAZVFHQGIFZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2S/c1-14(17-9-7-16(12-20(17)25)29-32(2,30)31)27-15-8-10-19(24)18(11-15)23-13-26-21-5-3-4-6-22(21)28-23/h3-13,27,29H,1H2,2H3.
What are the key properties of N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide?
N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide has a molecular weight of 485.40 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-(4-chloro-3-quinoxalin-2-ylanilino)ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 67987235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).