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

C18H13ClN4O3S2 — CID 2444182

IUPAC5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H13ClN4O3S2/c19-15-9-10-16(27-15)28(25,26)23-18-17(20-11-5-7-12(24)8-6-11)21-13-3-1-2-4-14(13)22-18/h1-10,24H,(H,20,21)(H,22,23)
InChIKeyJEZZLPRMPRHBPW-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.59
Rot. Bonds5

About 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2444182) has the molecular formula C18H13ClN4O3S2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2444182
Molecular FormulaC18H13ClN4O3S2
Molecular Weight432.91 g/mol
Exact Mass432.01
IUPAC Name5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C18H13ClN4O3S2/c19-15-9-10-16(27-15)28(25,26)23-18-17(20-11-5-7-12(24)8-6-11)21-13-3-1-2-4-14(13)22-18/h1-10,24H,(H,20,21)(H,22,23)
InChIKeyJEZZLPRMPRHBPW-UHFFFAOYSA-N
XLogP4.59
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.59
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

5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444236
N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
5-chloro-N-[3-(3-pyrrolidin-1-ylsulfonylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 3963778
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
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1383338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2444182) is 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(O)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is JEZZLPRMPRHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S2/c19-15-9-10-16(27-15)28(25,26)23-18-17(20-11-5-7-12(24)8-6-11)21-13-3-1-2-4-14(13)22-18/h1-10,24H,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 432.91 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2444182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).