N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

C19H16N4O3S2 — CID 2309400

IUPACN-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N4O3S2/c1-26-14-10-8-13(9-11-14)20-18-19(22-16-6-3-2-5-15(16)21-18)23-28(24,25)17-7-4-12-27-17/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyKYICOZOKTFHHLV-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.24
Rot. Bonds6

About N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2309400) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2309400
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N4O3S2/c1-26-14-10-8-13(9-11-14)20-18-19(22-16-6-3-2-5-15(16)21-18)23-28(24,25)17-7-4-12-27-17/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyKYICOZOKTFHHLV-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

4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
3-(4-methoxyphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56680410
4-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56680419
3-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,3-diamine
CID 56680420
N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56680421
4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325622
N-[3-(2,4-dimethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1402946
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310450
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
CID 4878685

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2309400) is N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is KYICOZOKTFHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-26-14-10-8-13(9-11-14)20-18-19(22-16-6-3-2-5-15(16)21-18)23-28(24,25)17-7-4-12-27-17/h2-12H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[3-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(4-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-(4-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2309400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).