1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C24H20N4O3S — CID 3982843

IUPAC1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H20N4O3S/c1-31-17-11-13-18(14-12-17)32(29,30)22-21-24(27-20-10-6-5-9-19(20)26-21)28(23(22)25)15-16-7-3-2-4-8-16/h2-14H,15,25H2,1H3
InChIKeyYJXQBKJBPBUZLU-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.06
Rot. Bonds5

About 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 3982843) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID3982843
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H20N4O3S/c1-31-17-11-13-18(14-12-17)32(29,30)22-21-24(27-20-10-6-5-9-19(20)26-21)28(23(22)25)15-16-7-3-2-4-8-16/h2-14H,15,25H2,1H3
InChIKeyYJXQBKJBPBUZLU-UHFFFAOYSA-N
XLogP4.06
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2009206
3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 2017713
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
3-(4-chlorophenyl)sulfonyl-1-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 2007351
1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3817929
3-(4-methoxyphenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
CID 6889921
1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 664863
(E)-N-[1-benzyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-3-phenylprop-2-enamide
CID 2067277
1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 14117384
3-(3-chlorophenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2008908
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methoxybenzamide
CID 46835097
2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2426783

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 3982843) is 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is YJXQBKJBPBUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-31-17-11-13-18(14-12-17)32(29,30)22-21-24(27-20-10-6-5-9-19(20)26-21)28(23(22)25)15-16-7-3-2-4-8-16/h2-14H,15,25H2,1H3.
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 444.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 3982843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).