4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide

C19H20BrN5O2S — CID 2055386

IUPAC4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCN1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrN5O2S/c1-24-10-12-25(13-11-24)19-18(21-16-4-2-3-5-17(16)22-19)23-28(26,27)15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyZWCLDLCUHXFFLP-UHFFFAOYSA-N
MW462.37 g/mol
LogP2.94
Rot. Bonds4

About 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide

4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2055386) has the molecular formula C19H20BrN5O2S and a molecular weight of 462.37 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2055386
Molecular FormulaC19H20BrN5O2S
Molecular Weight462.37 g/mol
Exact Mass461.05
IUPAC Name4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCN1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrN5O2S/c1-24-10-12-25(13-11-24)19-18(21-16-4-2-3-5-17(16)22-19)23-28(26,27)15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyZWCLDLCUHXFFLP-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CID 70695983
1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
CID 141267286
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]-2-methylbenzenesulfonamide
CID 1932237
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
[3-(3-benzyl-1H-imidazol-3-ium-1-yl)quinoxalin-2-yl][(4-bromophenyl)sulfonyl]azanide
CID 1394903
N-[4-({[3-(dibutylamino)-2-quinoxalinyl]amino}sulfonyl)phenyl]acetamide
CID 2297789
4-bromo-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2340644

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide (CID 2055386) is 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide is CN1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is ZWCLDLCUHXFFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O2S/c1-24-10-12-25(13-11-24)19-18(21-16-4-2-3-5-17(16)22-19)23-28(26,27)15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 462.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2055386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).