4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide

C17H17N3O4S — CID 135775393

IUPAC4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C17H17N3O4S/c1-3-24-12-5-7-13(8-6-12)25(22,23)20-19-16-14-10-11(2)4-9-15(14)18-17(16)21/h4-10,18,21H,3H2,1-2H3/b20-19+
InChIKeyWDVHVHUONPZJMJ-FMQUCBEESA-N
MW359.41 g/mol
LogP4.05
Rot. Bonds5

About 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide

4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide (PubChem CID 135775393) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
PubChem CID135775393
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C17H17N3O4S/c1-3-24-12-5-7-13(8-6-12)25(22,23)20-19-16-14-10-11(2)4-9-15(14)18-17(16)21/h4-10,18,21H,3H2,1-2H3/b20-19+
InChIKeyWDVHVHUONPZJMJ-FMQUCBEESA-N
XLogP4.05
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

CID 135981069
CID 135981069
4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
CID 685818
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide
CID 135647686
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide
CID 870099
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide
CID 4286470
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide
CID 135722923
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 3522573
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137151293

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide (CID 135775393) is 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide?
The InChIKey is WDVHVHUONPZJMJ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-24-12-5-7-13(8-6-12)25(22,23)20-19-16-14-10-11(2)4-9-15(14)18-17(16)21/h4-10,18,21H,3H2,1-2H3/b20-19+.
What are the key properties of 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide?
4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide is sourced from PubChem (CID 135775393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).