N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

C19H16N4O3S2 — CID 2309402

IUPACN-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H16N4O3S2/c1-26-14-7-4-6-13(12-14)20-18-19(22-16-9-3-2-8-15(16)21-18)23-28(24,25)17-10-5-11-27-17/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyVJLWMFCCVNKCMR-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.24
Rot. Bonds6

About N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2309402) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2309402
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H16N4O3S2/c1-26-14-7-4-6-13(12-14)20-18-19(22-16-9-3-2-8-15(16)21-18)23-28(24,25)17-10-5-11-27-17/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyVJLWMFCCVNKCMR-UHFFFAOYSA-N
XLogP4.24
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338
N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310739
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
N-[3-(4-butylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310349
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-(3-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 24628378
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571
N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309799

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2309402) is N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is VJLWMFCCVNKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-26-14-7-4-6-13(12-14)20-18-19(22-16-9-3-2-8-15(16)21-18)23-28(24,25)17-10-5-11-27-17/h2-12H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 412.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2309402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).