1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine

C21H19N3O2S — CID 169387035

IUPAC1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(CNNc3ccccc3)ccc21
InChIInChI=1S/C21H19N3O2S/c25-27(26,20-9-5-2-6-10-20)24-14-13-18-15-17(11-12-21(18)24)16-22-23-19-7-3-1-4-8-19/h1-15,22-23H,16H2
InChIKeyFLWKXLIJDZQJPR-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.99
Rot. Bonds6

About 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine

1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine (PubChem CID 169387035) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine
PubChem CID169387035
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(CNNc3ccccc3)ccc21
InChIInChI=1S/C21H19N3O2S/c25-27(26,20-9-5-2-6-10-20)24-14-13-18-15-17(11-12-21(18)24)16-22-23-19-7-3-1-4-8-19/h1-15,22-23H,16H2
InChIKeyFLWKXLIJDZQJPR-UHFFFAOYSA-N
XLogP3.99
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N,N-dimethylindol-5-amine
CID 162661549
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
1-(benzenesulfonyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylindole
CID 124563441
1-(4-ethylphenyl)sulfonylindole-5-carbonitrile
CID 46890868
[5-[1-(benzenesulfonyl)indol-5-yl]-3-fluoro-2-pyridinyl]hydrazine
CID 163365939
2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
CID 138685100
1-(benzenesulfonyl)indole-6-carbaldehyde
CID 10731848
5-(4-benzylpiperazin-1-yl)-1-(4-phenylphenyl)sulfonylindole;hydrochloride
CID 69049725
[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane
CID 59831708
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine
CID 141109209
1-(4-chlorophenyl)sulfonylindole
CID 4689237

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine (CID 169387035) is 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine is O=S(=O)(c1ccccc1)n1ccc2cc(CNNc3ccccc3)ccc21.
What is the InChIKey of 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine?
The InChIKey is FLWKXLIJDZQJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-27(26,20-9-5-2-6-10-20)24-14-13-18-15-17(11-12-21(18)24)16-22-23-19-7-3-1-4-8-19/h1-15,22-23H,16H2.
What are the key properties of 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine?
1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine has a molecular weight of 377.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169387035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).