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

C20H18N4O3S — CID 663528

IUPACN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)c1
InChIInChI=1S/C20H18N4O3S/c1-14-6-4-8-16(12-14)28(25,26)24-20-19(21-13-15-7-5-11-27-15)22-17-9-2-3-10-18(17)23-20/h2-12H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyMEKUCHQKXBAKLQ-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.94
Rot. Bonds6

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

N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide (PubChem CID 663528) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
PubChem CID663528
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)c1
InChIInChI=1S/C20H18N4O3S/c1-14-6-4-8-16(12-14)28(25,26)24-20-19(21-13-15-7-5-11-27-15)22-17-9-2-3-10-18(17)23-20/h2-12H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyMEKUCHQKXBAKLQ-UHFFFAOYSA-N
XLogP3.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.94
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-((furan-2-ylmethyl)amino)quinoxalin-2-yl)-3,4-dimethylbenzenesulfonamide
CID 664753
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-methylbenzenesulfonamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide (CID 663528) is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide?
The InChIKey is MEKUCHQKXBAKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-14-6-4-8-16(12-14)28(25,26)24-20-19(21-13-15-7-5-11-27-15)22-17-9-2-3-10-18(17)23-20/h2-12H,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide?
N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.94, 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-methylbenzenesulfonamide is sourced from PubChem (CID 663528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).