N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide

C18H19N3O2S — CID 136873473

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24(22,23)21-20-11-15-10-19-17-7-5-4-6-16(15)17/h4-11,19,21H,1-3H3/b20-11+
InChIKeyHFTVDUKJMFTWJB-RGVLZGJSSA-N
MW341.44 g/mol
LogP3.41
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide

N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 136873473) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
PubChem CID136873473
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24(22,23)21-20-11-15-10-19-17-7-5-4-6-16(15)17/h4-11,19,21H,1-3H3/b20-11+
InChIKeyHFTVDUKJMFTWJB-RGVLZGJSSA-N
XLogP3.41
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135647810
N-(2,4-dimethylphenyl)-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679409
N-(2,4-dimethylphenyl)-4-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 5075346
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 136717924
2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110516904
(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
CID 136873762
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 110516894
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 136664551
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide (CID 136873473) is N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HFTVDUKJMFTWJB-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24(22,23)21-20-11-15-10-19-17-7-5-4-6-16(15)17/h4-11,19,21H,1-3H3/b20-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 136873473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).