methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate

C18H17N3O4S — CID 137306000

IUPACmethyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c[nH]c2c1
InChIInChI=1S/C18H17N3O4S/c1-12-3-6-15(7-4-12)26(23,24)21-20-11-14-10-19-17-9-13(18(22)25-2)5-8-16(14)17/h3-11,19,21H,1-2H3/b20-11+
InChIKeyCFMWEEMKYBYYJA-RGVLZGJSSA-N
MW371.42 g/mol
LogP2.58
Rot. Bonds5

About methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate

methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate (PubChem CID 137306000) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate
PubChem CID137306000
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c[nH]c2c1
InChIInChI=1S/C18H17N3O4S/c1-12-3-6-15(7-4-12)26(23,24)21-20-11-14-10-19-17-9-13(18(22)25-2)5-8-16(14)17/h3-11,19,21H,1-2H3/b20-11+
InChIKeyCFMWEEMKYBYYJA-RGVLZGJSSA-N
XLogP2.58
TPSA100.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
CID 3829008
Methyl indole-6-carboxylate
CID 639844
Tryptamine sulfonamide, 32
CID 24825395
ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate
CID 44410730
methyl 4-[[3-(1H-indol-3-yl)propanoylamino]methyl]benzoate
CID 2468757
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindole-6-carboxylic acid;hydrochloride
CID 140959818
[2-(1H-indol-3-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2462632
ethyl 4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoate
CID 4316078
4-{4-[(R)-1-Carboxy-2-(1H-indol-3-yl)-ethylsulfamoyl]-phenylethynyl}-benzoic acid
CID 10601066
methyl 4-[(E)-3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzoate;hydrochloride
CID 137652037
methyl N-[(4-methylphenyl)sulfonyl]tryptophanate
CID 2728088
(Z)-methyl 1-(4-amino-2-fluorobut-2-en-1-yl)-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methyl-1H-indole-6-carboxylate
CID 130340290

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate (CID 137306000) is methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate is COC(=O)c1ccc2c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c[nH]c2c1.
What is the InChIKey of methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate?
The InChIKey is CFMWEEMKYBYYJA-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-3-6-15(7-4-12)26(23,24)21-20-11-14-10-19-17-9-13(18(22)25-2)5-8-16(14)17/h3-11,19,21H,1-2H3/b20-11+.
What are the key properties of methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate?
methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 137306000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).