1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C32H26ClN5O3S — CID 2066054

IUPAC1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(NS(=O)(=O)c2ccc(Cl)cc2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C32H26ClN5O3S/c33-24-15-17-25(18-16-24)42(40,41)37-30-28(32(39)34-20-19-22-9-3-1-4-10-22)29-31(36-27-14-8-7-13-26(27)35-29)38(30)21-23-11-5-2-6-12-23/h1-18,37H,19-21H2,(H,34,39)
InChIKeyDDUQQKQHQVLNHG-UHFFFAOYSA-N
MW596.11 g/mol
LogP6.06
Rot. Bonds9

About 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 2066054) has the molecular formula C32H26ClN5O3S and a molecular weight of 596.11 g/mol. Its IUPAC name is 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID2066054
Molecular FormulaC32H26ClN5O3S
Molecular Weight596.11 g/mol
Exact Mass595.14
IUPAC Name1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(NS(=O)(=O)c2ccc(Cl)cc2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C32H26ClN5O3S/c33-24-15-17-25(18-16-24)42(40,41)37-30-28(32(39)34-20-19-22-9-3-1-4-10-22)29-31(36-27-14-8-7-13-26(27)35-29)38(30)21-23-11-5-2-6-12-23/h1-18,37H,19-21H2,(H,34,39)
InChIKeyDDUQQKQHQVLNHG-UHFFFAOYSA-N
XLogP6.06
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.11
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-1-benzyl-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2067988
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
2-amino-N,1-bis(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2015264
2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4203658
2-amino-N-(3-methylbutyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2034456
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
4-fluoro-N-[3-(4-methylphenyl)sulfonyl-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide
CID 3947391
N-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 32815386
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941890
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 2066054) is 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is O=C(NCCc1ccccc1)c1c(NS(=O)(=O)c2ccc(Cl)cc2)n(Cc2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is DDUQQKQHQVLNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClN5O3S/c33-24-15-17-25(18-16-24)42(40,41)37-30-28(32(39)34-20-19-22-9-3-1-4-10-22)29-31(36-27-14-8-7-13-26(27)35-29)38(30)21-23-11-5-2-6-12-23/h1-18,37H,19-21H2,(H,34,39).
What are the key properties of 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 596.11 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(4-chlorophenyl)sulfonylamino]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 2066054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).