ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H24N4O4S — CID 3286543

IUPACethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21
InChIInChI=1S/C23H24N4O4S/c1-3-5-15-27-21(26-32(29,30)16-11-7-6-8-12-16)19(23(28)31-4-2)20-22(27)25-18-14-10-9-13-17(18)24-20/h6-14,26H,3-5,15H2,1-2H3
InChIKeyRRABPWFMLNFGOQ-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.36
Rot. Bonds8

About ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3286543) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3286543
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Nameethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21
InChIInChI=1S/C23H24N4O4S/c1-3-5-15-27-21(26-32(29,30)16-11-7-6-8-12-16)19(23(28)31-4-2)20-22(27)25-18-14-10-9-13-17(18)24-20/h6-14,26H,3-5,15H2,1-2H3
InChIKeyRRABPWFMLNFGOQ-UHFFFAOYSA-N
XLogP4.36
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3286543) is ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate is CCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21.
What is the InChIKey of ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is RRABPWFMLNFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-3-5-15-27-21(26-32(29,30)16-11-7-6-8-12-16)19(23(28)31-4-2)20-22(27)25-18-14-10-9-13-17(18)24-20/h6-14,26H,3-5,15H2,1-2H3.
What are the key properties of ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 452.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzenesulfonamido)-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3286543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).