N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide

C19H16N4O3S — CID 662383

IUPACN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccccc1
InChIInChI=1S/C19H16N4O3S/c24-27(25,15-8-2-1-3-9-15)23-19-18(20-13-14-7-6-12-26-14)21-16-10-4-5-11-17(16)22-19/h1-12H,13H2,(H,20,21)(H,22,23)
InChIKeyLKYHWUIHARVDTO-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.64
Rot. Bonds6

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

N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 662383) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID662383
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccccc1
InChIInChI=1S/C19H16N4O3S/c24-27(25,15-8-2-1-3-9-15)23-19-18(20-13-14-7-6-12-26-14)21-16-10-4-5-11-17(16)22-19/h1-12H,13H2,(H,20,21)(H,22,23)
InChIKeyLKYHWUIHARVDTO-UHFFFAOYSA-N
XLogP3.64
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide (CID 662383) is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccccc1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is LKYHWUIHARVDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-27(25,15-8-2-1-3-9-15)23-19-18(20-13-14-7-6-12-26-14)21-16-10-4-5-11-17(16)22-19/h1-12H,13H2,(H,20,21)(H,22,23).
What are the key properties of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 662383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).