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

C20H18N4O2S2 — CID 1383338

IUPACN-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C20H18N4O2S2/c1-13-9-10-15(12-14(13)2)21-19-20(23-17-7-4-3-6-16(17)22-19)24-28(25,26)18-8-5-11-27-18/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyKKRTVTKUOKKZOY-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.85
Rot. Bonds5

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

N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 1383338) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID1383338
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C20H18N4O2S2/c1-13-9-10-15(12-14(13)2)21-19-20(23-17-7-4-3-6-16(17)22-19)24-28(25,26)18-8-5-11-27-18/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChIKeyKKRTVTKUOKKZOY-UHFFFAOYSA-N
XLogP4.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
N-[3-(4-butylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310349
N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310739
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[3-(3-fluoro-4-methylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1399157
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309799
N-[3-(4-ethylanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1398671

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 1383338) is N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1C.
What is the InChIKey of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is KKRTVTKUOKKZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-13-9-10-15(12-14(13)2)21-19-20(23-17-7-4-3-6-16(17)22-19)24-28(25,26)18-8-5-11-27-18/h3-12H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 1383338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).