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

C18H14N4O3S2 — CID 2310368

IUPACN-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)cc1)c1cccs1
InChIInChI=1S/C18H14N4O3S2/c23-13-9-7-12(8-10-13)19-17-18(21-15-5-2-1-4-14(15)20-17)22-27(24,25)16-6-3-11-26-16/h1-11,23H,(H,19,20)(H,21,22)
InChIKeyOMHLQKYDIWLLOJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.94
Rot. Bonds5

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

N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2310368) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2310368
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC NameN-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)cc1)c1cccs1
InChIInChI=1S/C18H14N4O3S2/c23-13-9-7-12(8-10-13)19-17-18(21-15-5-2-1-4-14(15)20-17)22-27(24,25)16-6-3-11-26-16/h1-11,23H,(H,19,20)(H,21,22)
InChIKeyOMHLQKYDIWLLOJ-UHFFFAOYSA-N
XLogP3.94
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(trifluoromethoxy)anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310739
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338
N-[3-(4-butylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310349
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182
N-[3-(3-methoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309402
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
N-[3-[[(1R)-1-phenylethyl]amino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2309799
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2443953
4-[[3-[(5-bromothiophen-2-yl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 7042041
5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444083

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2310368) is N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)cc1)c1cccs1.
What is the InChIKey of N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is OMHLQKYDIWLLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c23-13-9-7-12(8-10-13)19-17-18(21-15-5-2-1-4-14(15)20-17)22-27(24,25)16-6-3-11-26-16/h1-11,23H,(H,19,20)(H,21,22).
What are the key properties of N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 398.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2310368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).