N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide

C21H26N4O5S2 — CID 24992147

IUPACN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCS(C)(=O)=O
InChIInChI=1S/C21H26N4O5S2/c1-4-12-32(28,29)25-21-20(22-17-7-5-6-8-18(17)23-21)24-19-14-16(30-2)10-9-15(19)11-13-31(3,26)27/h5-10,14H,4,11-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNCSJNFFCAKIBOU-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.12
Rot. Bonds10

About N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide

N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide (PubChem CID 24992147) has the molecular formula C21H26N4O5S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide
PubChem CID24992147
Molecular FormulaC21H26N4O5S2
Molecular Weight478.60 g/mol
Exact Mass478.13
IUPAC NameN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCS(C)(=O)=O
InChIInChI=1S/C21H26N4O5S2/c1-4-12-32(28,29)25-21-20(22-17-7-5-6-8-18(17)23-21)24-19-14-16(30-2)10-9-15(19)11-13-31(3,26)27/h5-10,14H,4,11-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNCSJNFFCAKIBOU-UHFFFAOYSA-N
XLogP3.12
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-4-methylquinolin-2-amine
CID 910456
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
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1317866
3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
CID 86055675
N-butyl-7-methoxy-3-phenylquinoxalin-2-amine
CID 118726543
3-cyano-N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 16046007
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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 24992146

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide (CID 24992147) is N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCS(C)(=O)=O.
What is the InChIKey of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide?
The InChIKey is NCSJNFFCAKIBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S2/c1-4-12-32(28,29)25-21-20(22-17-7-5-6-8-18(17)23-21)24-19-14-16(30-2)10-9-15(19)11-13-31(3,26)27/h5-10,14H,4,11-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide?
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide has a molecular weight of 478.60 g/mol, XLogP of 3.12, 10 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]propane-1-sulfonamide is sourced from PubChem (CID 24992147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).