3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine

C20H13BrFN3O2S — CID 56680381

IUPAC3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(F)cc1
InChIInChI=1S/C20H13BrFN3O2S/c21-13-5-11-16(12-6-13)28(26,27)20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24)
InChIKeyGSTRAHGTJQMZAX-UHFFFAOYSA-N
MW458.31 g/mol
LogP5.11
Rot. Bonds4

About 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine

3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine (PubChem CID 56680381) has the molecular formula C20H13BrFN3O2S and a molecular weight of 458.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
PubChem CID56680381
Molecular FormulaC20H13BrFN3O2S
Molecular Weight458.31 g/mol
Exact Mass456.99
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(F)cc1
InChIInChI=1S/C20H13BrFN3O2S/c21-13-5-11-16(12-6-13)28(26,27)20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24)
InChIKeyGSTRAHGTJQMZAX-UHFFFAOYSA-N
XLogP5.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.31
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine 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

3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56666796
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670250
3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CID 70695983
7-bromo-N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726536
1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
CID 141267286
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2055386
3-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,3-diamine
CID 56663362

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine (CID 56680381) is 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine is O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine?
The InChIKey is GSTRAHGTJQMZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN3O2S/c21-13-5-11-16(12-6-13)28(26,27)20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine?
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine has a molecular weight of 458.31 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine is sourced from PubChem (CID 56680381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).