3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine

C20H14FN3O2S — CID 56680408

IUPAC3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,(H,22,23)
InChIKeySHDDMNBOXWCBSI-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.35
Rot. Bonds4

About 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine

3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine (PubChem CID 56680408) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine
PubChem CID56680408
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,(H,22,23)
InChIKeySHDDMNBOXWCBSI-UHFFFAOYSA-N
XLogP4.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1915791
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-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-4-ol
CID 70685462
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine (CID 56680408) is 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(F)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine?
The InChIKey is SHDDMNBOXWCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,(H,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine?
3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine has a molecular weight of 379.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine is sourced from PubChem (CID 56680408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).