N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide

C31H37N5O3S — CID 24995945

IUPACN-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
SMILESCOc1ccc(CC2CCCCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C31H37N5O3S/c1-36(2)21-23-13-17-26(18-14-23)40(37,38)35-31-30(32-27-11-7-8-12-28(27)33-31)34-29-20-25(39-3)16-15-24(29)19-22-9-5-4-6-10-22/h7-8,11-18,20,22H,4-6,9-10,19,21H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyQICASWFXUGIMRP-UHFFFAOYSA-N
MW559.74 g/mol
LogP6.37
Rot. Bonds10

About N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide

N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide (PubChem CID 24995945) has the molecular formula C31H37N5O3S and a molecular weight of 559.74 g/mol. Its IUPAC name is N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
PubChem CID24995945
Molecular FormulaC31H37N5O3S
Molecular Weight559.74 g/mol
Exact Mass559.26
IUPAC NameN-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
SMILESCOc1ccc(CC2CCCCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C31H37N5O3S/c1-36(2)21-23-13-17-26(18-14-23)40(37,38)35-31-30(32-27-11-7-8-12-28(27)33-31)34-29-20-25(39-3)16-15-24(29)19-22-9-5-4-6-10-22/h7-8,11-18,20,22H,4-6,9-10,19,21H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyQICASWFXUGIMRP-UHFFFAOYSA-N
XLogP6.37
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.74
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide with MolForge

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Related Compounds

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
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-(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
N-[3-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]anilino]quinoxalin-2-yl]pyridine-3-sulfonamide
CID 24884531
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3-methylsulfanylpropane-1-sulfonamide
CID 24992143
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 24992145
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide
CID 24992147
N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]propane-1-sulfonamide
CID 24992465

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide (CID 24995945) is N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide is COc1ccc(CC2CCCCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1.
What is the InChIKey of N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide?
The InChIKey is QICASWFXUGIMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3S/c1-36(2)21-23-13-17-26(18-14-23)40(37,38)35-31-30(32-27-11-7-8-12-28(27)33-31)34-29-20-25(39-3)16-15-24(29)19-22-9-5-4-6-10-22/h7-8,11-18,20,22H,4-6,9-10,19,21H2,1-3H3,(H,32,34)(H,33,35).
What are the key properties of N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide?
N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide has a molecular weight of 559.74 g/mol, XLogP of 6.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 24995945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).