N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide

C23H17ClN4O2S — CID 2044030

IUPACN-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN4O2S/c24-17-10-12-18(13-11-17)31(29,30)27-22-14-21-23(26-20-9-5-4-8-19(20)25-21)28(22)15-16-6-2-1-3-7-16/h1-14,27H,15H2
InChIKeyQRNHZTGFJGPYFW-UHFFFAOYSA-N
MW448.94 g/mol
LogP5.09
Rot. Bonds5

About N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide

N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide (PubChem CID 2044030) has the molecular formula C23H17ClN4O2S and a molecular weight of 448.94 g/mol. Its IUPAC name is N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide
PubChem CID2044030
Molecular FormulaC23H17ClN4O2S
Molecular Weight448.94 g/mol
Exact Mass448.08
IUPAC NameN-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN4O2S/c24-17-10-12-18(13-11-17)31(29,30)27-22-14-21-23(26-20-9-5-4-8-19(20)25-21)28(22)15-16-6-2-1-3-7-16/h1-14,27H,15H2
InChIKeyQRNHZTGFJGPYFW-UHFFFAOYSA-N
XLogP5.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.94
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide (CID 2044030) is N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide?
The InChIKey is QRNHZTGFJGPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2S/c24-17-10-12-18(13-11-17)31(29,30)27-22-14-21-23(26-20-9-5-4-8-19(20)25-21)28(22)15-16-6-2-1-3-7-16/h1-14,27H,15H2.
What are the key properties of N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide?
N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide has a molecular weight of 448.94 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2044030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).