3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine

C20H14BrN3O2S — CID 56683748

IUPAC3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C20H14BrN3O2S/c21-14-10-12-16(13-11-14)27(25,26)20-19(22-15-6-2-1-3-7-15)23-17-8-4-5-9-18(17)24-20/h1-13H,(H,22,23)
InChIKeyOYMBOJZXLOBVJU-UHFFFAOYSA-N
MW440.32 g/mol
LogP4.97
Rot. Bonds4

About 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine

3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine (PubChem CID 56683748) has the molecular formula C20H14BrN3O2S and a molecular weight of 440.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
PubChem CID56683748
Molecular FormulaC20H14BrN3O2S
Molecular Weight440.32 g/mol
Exact Mass439.00
IUPAC Name3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C20H14BrN3O2S/c21-14-10-12-16(13-11-14)27(25,26)20-19(22-15-6-2-1-3-7-15)23-17-8-4-5-9-18(17)24-20/h1-13H,(H,22,23)
InChIKeyOYMBOJZXLOBVJU-UHFFFAOYSA-N
XLogP4.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine (CID 56683748) is 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine is O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine?
The InChIKey is OYMBOJZXLOBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2S/c21-14-10-12-16(13-11-14)27(25,26)20-19(22-15-6-2-1-3-7-15)23-17-8-4-5-9-18(17)24-20/h1-13H,(H,22,23).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine?
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine has a molecular weight of 440.32 g/mol, XLogP of 4.97, 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-phenylquinoxalin-2-amine is sourced from PubChem (CID 56683748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).