N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide

C21H20N4O3S — CID 664753

IUPACN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1C
InChIInChI=1S/C21H20N4O3S/c1-14-9-10-17(12-15(14)2)29(26,27)25-21-20(22-13-16-6-5-11-28-16)23-18-7-3-4-8-19(18)24-21/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOWRDOMVJZNZUEJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.25
Rot. Bonds6

About N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide

N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 664753) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID664753
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1C
InChIInChI=1S/C21H20N4O3S/c1-14-9-10-17(12-15(14)2)29(26,27)25-21-20(22-13-16-6-5-11-28-16)23-18-7-3-4-8-19(18)24-21/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOWRDOMVJZNZUEJ-UHFFFAOYSA-N
XLogP4.25
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-ylmethyl)-3-tosyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 662757
1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 663429
N-[3-(2-furanylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide
CID 663528
1-(Furan-2-ylmethyl)-3-(3-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 666651
1-(3,4-Dimethyl-benzenesulfonyl)-3-furan-2-ylmethyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2007309
1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2009470
1-(furan-2-ylmethyl)-3-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2015810
3-(3,4-Dimethyl-benzenesulfonyl)-1-furan-2-ylmethyl-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine
CID 2032163
3-[[4-(Furan-2-ylmethylamino)quinazolin-2-yl]amino]benzenesulfonamide
CID 155545319
N-[(2Z)-3-[(furan-2-ylmethyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
CID 662383
4-chloro-N-(3-((furan-2-ylmethyl)amino)quinoxalin-2-yl)benzenesulfonamide
CID 663095
N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 663416

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide (CID 664753) is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1C.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is OWRDOMVJZNZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14-9-10-17(12-15(14)2)29(26,27)25-21-20(22-13-16-6-5-11-28-16)23-18-7-3-4-8-19(18)24-21/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide?
N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 4.25, 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]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 664753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).