N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide

C20H15BrN4O2S — CID 2921212

IUPACN-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C20H15BrN4O2S/c21-15-10-4-5-11-16(15)22-19-20(24-18-13-7-6-12-17(18)23-19)25-28(26,27)14-8-2-1-3-9-14/h1-13H,(H,22,23)(H,24,25)
InChIKeyAOBDWQLOGZMZJM-UHFFFAOYSA-N
MW455.34 g/mol
LogP4.94
Rot. Bonds5

About N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2921212) has the molecular formula C20H15BrN4O2S and a molecular weight of 455.34 g/mol. Its IUPAC name is N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2921212
Molecular FormulaC20H15BrN4O2S
Molecular Weight455.34 g/mol
Exact Mass454.01
IUPAC NameN-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C20H15BrN4O2S/c21-15-10-4-5-11-16(15)22-19-20(24-18-13-7-6-12-17(18)23-19)25-28(26,27)14-8-2-1-3-9-14/h1-13H,(H,22,23)(H,24,25)
InChIKeyAOBDWQLOGZMZJM-UHFFFAOYSA-N
XLogP4.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide (CID 2921212) is N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is AOBDWQLOGZMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2S/c21-15-10-4-5-11-16(15)22-19-20(24-18-13-7-6-12-17(18)23-19)25-28(26,27)14-8-2-1-3-9-14/h1-13H,(H,22,23)(H,24,25).
What are the key properties of N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 455.34 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2921212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).