N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide

C16H15N3O2S — CID 135735430

IUPACN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2S/c1-12(15-11-17-16-10-6-5-9-14(15)16)18-19-22(20,21)13-7-3-2-4-8-13/h2-11,17,19H,1H3/b18-12-
InChIKeyOETUTWKVACGJFJ-PDGQHHTCSA-N
MW313.38 g/mol
LogP2.87
Rot. Bonds4

About N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide

N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide (PubChem CID 135735430) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide
PubChem CID135735430
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2S/c1-12(15-11-17-16-10-6-5-9-14(15)16)18-19-22(20,21)13-7-3-2-4-8-13/h2-11,17,19H,1H3/b18-12-
InChIKeyOETUTWKVACGJFJ-PDGQHHTCSA-N
XLogP2.87
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.87
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

Skatole
CID 6736
Tryptamine
CID 1150
Sumatriptan
CID 5358
N,N-Dimethyltryptamine
CID 6089
Eletriptan
CID 77993
Almotriptan
CID 123606
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Naratriptan
CID 4440
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide (CID 135735430) is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is OETUTWKVACGJFJ-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12(15-11-17-16-10-6-5-9-14(15)16)18-19-22(20,21)13-7-3-2-4-8-13/h2-11,17,19H,1H3/b18-12-.
What are the key properties of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide?
N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135735430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).