1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine

C18H16N2O2S — CID 123702867

IUPAC1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine
SMILES[H]/N=C(\C(=C)C)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H16N2O2S/c1-13(2)18(19)16-12-20(17-11-7-6-10-15(16)17)23(21,22)14-8-4-3-5-9-14/h3-12,19H,1H2,2H3/b19-18+
InChIKeyRUSYZGJLXDBKGF-VHEBQXMUSA-N
MW324.41 g/mol
LogP3.82
Rot. Bonds4

About 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine

1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine (PubChem CID 123702867) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine
PubChem CID123702867
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine
SMILES[H]/N=C(\C(=C)C)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H16N2O2S/c1-13(2)18(19)16-12-20(17-11-7-6-10-15(16)17)23(21,22)14-8-4-3-5-9-14/h3-12,19H,1H2,2H3/b19-18+
InChIKeyRUSYZGJLXDBKGF-VHEBQXMUSA-N
XLogP3.82
TPSA62.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine 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

1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-2-en-1-one
CID 14061753
1-(benzenesulfonyl)indole-3-carboxylate
CID 6932015
1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-3-en-1-ol
CID 10521192
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
1-[1-(benzenesulfonyl)indol-3-yl]-2,2-dibromoethanone
CID 165354789
2-[[1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbutylidene]amino]guanidine
CID 87970881
1-(benzenesulfonyl)indol-3-amine
CID 142808384
[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
CID 12908469
4-[1-(benzenesulfonyl)indol-3-yl]-2-methylbut-2-enal
CID 90046192
1-(4-butylphenyl)sulfonylindole-3-carboxylic acid
CID 59596767
4-[[[1-(benzenesulfonyl)indole-3-carbonyl]amino]methyl]benzoic acid
CID 174661053
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine?
The IUPAC name of 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine (CID 123702867) is 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine?
The canonical SMILES for 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine is [H]/N=C(\C(=C)C)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine?
The InChIKey is RUSYZGJLXDBKGF-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13(2)18(19)16-12-20(17-11-7-6-10-15(16)17)23(21,22)14-8-4-3-5-9-14/h3-12,19H,1H2,2H3/b19-18+.
What are the key properties of 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine?
1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine has a molecular weight of 324.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)indol-3-yl]-2-methylprop-2-en-1-imine is sourced from PubChem (CID 123702867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).