N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide

C25H22N4O3S — CID 2005659

IUPACN-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CCn2c(NS(=O)(=O)c3ccccc3)cc3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H22N4O3S/c1-32-19-13-11-18(12-14-19)15-16-29-24(28-33(30,31)20-7-3-2-4-8-20)17-23-25(29)27-22-10-6-5-9-21(22)26-23/h2-14,17,28H,15-16H2,1H3
InChIKeyMQMTYMBAXZPYCC-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.64
Rot. Bonds7

About N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide

N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2005659) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide
PubChem CID2005659
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CCn2c(NS(=O)(=O)c3ccccc3)cc3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H22N4O3S/c1-32-19-13-11-18(12-14-19)15-16-29-24(28-33(30,31)20-7-3-2-4-8-20)17-23-25(29)27-22-10-6-5-9-21(22)26-23/h2-14,17,28H,15-16H2,1H3
InChIKeyMQMTYMBAXZPYCC-UHFFFAOYSA-N
XLogP4.64
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 154467582
4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3681501
N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
CID 171418978
4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972051
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide
CID 67663058
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide (CID 2005659) is N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide is COc1ccc(CCn2c(NS(=O)(=O)c3ccccc3)cc3nc4ccccc4nc32)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is MQMTYMBAXZPYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-32-19-13-11-18(12-14-19)15-16-29-24(28-33(30,31)20-7-3-2-4-8-20)17-23-25(29)27-22-10-6-5-9-21(22)26-23/h2-14,17,28H,15-16H2,1H3.
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide?
N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 458.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2005659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).