4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide

C16H15N3O3S — CID 685818

IUPAC4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-2-11-7-9-12(10-8-11)23(21,22)19-18-15-13-5-3-4-6-14(13)17-16(15)20/h3-10,17,20H,2H2,1H3/b19-18+
InChIKeyJLEIQCUCDFUYLC-VHEBQXMUSA-N
MW329.38 g/mol
LogP3.91
Rot. Bonds4

About 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide

4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide (PubChem CID 685818) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
PubChem CID685818
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-2-11-7-9-12(10-8-11)23(21,22)19-18-15-13-5-3-4-6-14(13)17-16(15)20/h3-10,17,20H,2H2,1H3/b19-18+
InChIKeyJLEIQCUCDFUYLC-VHEBQXMUSA-N
XLogP3.91
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
CID 1380360
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide
CID 870099
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
CID 135775393
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide
CID 135647686
5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
CID 136867526
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135957644
1-(3-ethylphenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
CID 135571902
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide (CID 685818) is 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide is CCc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
The InChIKey is JLEIQCUCDFUYLC-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-11-7-9-12(10-8-11)23(21,22)19-18-15-13-5-3-4-6-14(13)17-16(15)20/h3-10,17,20H,2H2,1H3/b19-18+.
What are the key properties of 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide is sourced from PubChem (CID 685818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).