N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide

C16H15N3O3S — CID 870099

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-14(11(2)9-10)23(21,22)19-18-15-12-5-3-4-6-13(12)17-16(15)20/h3-9,17,20H,1-2H3/b19-18+
InChIKeyVWCUJXIOANKAPO-VHEBQXMUSA-N
MW329.38 g/mol
LogP3.96
Rot. Bonds3

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide (PubChem CID 870099) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide
PubChem CID870099
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-14(11(2)9-10)23(21,22)19-18-15-12-5-3-4-6-13(12)17-16(15)20/h3-9,17,20H,1-2H3/b19-18+
InChIKeyVWCUJXIOANKAPO-VHEBQXMUSA-N
XLogP3.96
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.96
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
4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
CID 685818
1-(2,4-dimethylphenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
CID 4269744
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide
CID 135722923
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2,4,6-trimethylbenzenesulfonamide
CID 135758839
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
CID 135775393
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 137107408
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide (CID 870099) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is VWCUJXIOANKAPO-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-7-8-14(11(2)9-10)23(21,22)19-18-15-12-5-3-4-6-13(12)17-16(15)20/h3-9,17,20H,1-2H3/b19-18+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 870099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).