2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline

C19H19BrN4O2S — CID 31014988

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrN4O2S/c1-14-19(22-18-5-3-2-4-17(18)21-14)23-10-12-24(13-11-23)27(25,26)16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3
InChIKeyHRRHYYFOSCRBIR-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.21
Rot. Bonds3

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline (PubChem CID 31014988) has the molecular formula C19H19BrN4O2S and a molecular weight of 447.36 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
PubChem CID31014988
Molecular FormulaC19H19BrN4O2S
Molecular Weight447.36 g/mol
Exact Mass446.04
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrN4O2S/c1-14-19(22-18-5-3-2-4-17(18)21-14)23-10-12-24(13-11-23)27(25,26)16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3
InChIKeyHRRHYYFOSCRBIR-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 31012765
6-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 108782939
1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3264362
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
CID 36551128
5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)pyrimidine
CID 46131978
1-(4-bromophenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507115
(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 34060541
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 98046943
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidine
CID 42778525
4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2,5,6-trimethylthieno[2,3-d]pyrimidine
CID 1466682

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline (CID 31014988) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
The InChIKey is HRRHYYFOSCRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2S/c1-14-19(22-18-5-3-2-4-17(18)21-14)23-10-12-24(13-11-23)27(25,26)16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline has a molecular weight of 447.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 31014988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).