2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline

C24H20Cl2N4O2S — CID 46093749

IUPAC2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C24H20Cl2N4O2S/c25-18-14-19(26)16-20(15-18)33(31,32)30-12-10-29(11-13-30)24-23(17-6-2-1-3-7-17)27-21-8-4-5-9-22(21)28-24/h1-9,14-16H,10-13H2
InChIKeyVEKOOKLQCMWTTM-UHFFFAOYSA-N
MW499.42 g/mol
LogP5.11
Rot. Bonds4

About 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline

2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline (PubChem CID 46093749) has the molecular formula C24H20Cl2N4O2S and a molecular weight of 499.42 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
PubChem CID46093749
Molecular FormulaC24H20Cl2N4O2S
Molecular Weight499.42 g/mol
Exact Mass498.07
IUPAC Name2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C24H20Cl2N4O2S/c25-18-14-19(26)16-20(15-18)33(31,32)30-12-10-29(11-13-30)24-23(17-6-2-1-3-7-17)27-21-8-4-5-9-22(21)28-24/h1-9,14-16H,10-13H2
InChIKeyVEKOOKLQCMWTTM-UHFFFAOYSA-N
XLogP5.11
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline 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

2-phenyl-3-[4-(2,4,5-trichlorophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline
CID 46093699
1,3-dimethyl-5-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 5298311
2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 2997171
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093769
2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 46093711
2-[4-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 5300036
7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
CID 46133835
(4-chlorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093514
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 47087292
methyl 3-(4-methylsulfonylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67042359
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline (CID 46093749) is 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
The InChIKey is VEKOOKLQCMWTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2S/c25-18-14-19(26)16-20(15-18)33(31,32)30-12-10-29(11-13-30)24-23(17-6-2-1-3-7-17)27-21-8-4-5-9-22(21)28-24/h1-9,14-16H,10-13H2.
What are the key properties of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline?
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline has a molecular weight of 499.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline is sourced from PubChem (CID 46093749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).