N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide

C24H24N4O5S2 — CID 24992145

IUPACN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N4O5S2/c1-33-18-13-12-17(14-15-34(2,29)30)22(16-18)27-23-24(26-21-11-7-6-10-20(21)25-23)28-35(31,32)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHSCMHPBAVIFHKC-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.77
Rot. Bonds9

About N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 24992145) has the molecular formula C24H24N4O5S2 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID24992145
Molecular FormulaC24H24N4O5S2
Molecular Weight512.61 g/mol
Exact Mass512.12
IUPAC NameN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N4O5S2/c1-33-18-13-12-17(14-15-34(2,29)30)22(16-18)27-23-24(26-21-11-7-6-10-20(21)25-23)28-35(31,32)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHSCMHPBAVIFHKC-UHFFFAOYSA-N
XLogP3.77
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-(3,5-Dimethoxyphenylamino)quinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 1627922
4-chloro-N-{3-[(3-methoxyphenyl)amino]-6-methylquinoxalin-2-yl}benzenesulfonamide
CID 4271420
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
CID 16036739
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56666816
3-[[3-(4-Methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol
CID 56683747
N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1409749
1-(4-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2001676
1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-(4-methoxybenzyl)-6-(piperidin-1-ylsulfonyl)quinolin-2-amine
CID 16024728
N-(3-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine
CID 16024788
N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1317866

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide (CID 24992145) is N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide is COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is HSCMHPBAVIFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S2/c1-33-18-13-12-17(14-15-34(2,29)30)22(16-18)27-23-24(26-21-11-7-6-10-20(21)25-23)28-35(31,32)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 512.61 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 24992145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).