3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine

C21H16N4O3S — CID 663121

IUPAC3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccco1
InChIInChI=1S/C21H16N4O3S/c22-20-19(29(26,27)15-8-2-1-3-9-15)18-21(25(20)13-14-7-6-12-28-14)24-17-11-5-4-10-16(17)23-18/h1-12H,13,22H2
InChIKeyCYWCPVXKHNAXDK-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.64
Rot. Bonds4

About 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine

3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 663121) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID663121
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccco1
InChIInChI=1S/C21H16N4O3S/c22-20-19(29(26,27)15-8-2-1-3-9-15)18-21(25(20)13-14-7-6-12-28-14)24-17-11-5-4-10-16(17)23-18/h1-12H,13,22H2
InChIKeyCYWCPVXKHNAXDK-UHFFFAOYSA-N
XLogP3.64
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-[[7-Amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]ethyl]piperazin-1-yl]benzenesulfonamide
CID 156018418
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 1902320
1-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxaline
CID 2999175
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxaline
CID 662008
N-{2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}furan-2-carboxamide
CID 663288
N-(furan-2-ylmethyl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 2135179
2-amino-N-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659069
2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659293
propan-2-yl 2-amino-1-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 660629
Tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 661750
1-(furan-2-ylmethyl)-2-phenyl-1H-imidazo[4,5-b]quinoxaline
CID 661942
3-(Furan-2-ylmethyl)-2-(4-methylphenyl)imidazo[4,5-b]quinoxaline
CID 662053

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 663121) is 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccco1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is CYWCPVXKHNAXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c22-20-19(29(26,27)15-8-2-1-3-9-15)18-21(25(20)13-14-7-6-12-28-14)24-17-11-5-4-10-16(17)23-18/h1-12H,13,22H2.
What are the key properties of 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 404.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 663121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).