4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide

C17H16BrN3O2S — CID 136998788

IUPAC4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+
InChIKeyZLSVNLSWJCOVNE-KEBDBYFISA-N
MW406.31 g/mol
LogP3.24
Rot. Bonds5

About 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 136998788) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID136998788
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+
InChIKeyZLSVNLSWJCOVNE-KEBDBYFISA-N
XLogP3.24
TPSA88.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide (CID 136998788) is 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is ZLSVNLSWJCOVNE-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c18-14-3-6-17-16(9-14)13(11-21-17)10-20-8-7-12-1-4-15(5-2-12)24(19,22)23/h1-6,9-11,21H,7-8H2,(H2,19,22,23)/b20-10+.
What are the key properties of 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 406.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 136998788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).