4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide

C17H16BrN3O2S — CID 2710523

IUPAC4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
SMILESCCc1cccc2c(C=NNS(=O)(=O)c3ccc(Br)cc3)c[nH]c12
InChIInChI=1S/C17H16BrN3O2S/c1-2-12-4-3-5-16-13(10-19-17(12)16)11-20-21-24(22,23)15-8-6-14(18)7-9-15/h3-11,19,21H,2H2,1H3
InChIKeyROFLTMSYZSTHIG-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.81
Rot. Bonds5

About 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide

4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 2710523) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID2710523
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
SMILESCCc1cccc2c(C=NNS(=O)(=O)c3ccc(Br)cc3)c[nH]c12
InChIInChI=1S/C17H16BrN3O2S/c1-2-12-4-3-5-16-13(10-19-17(12)16)11-20-21-24(22,23)15-8-6-14(18)7-9-15/h3-11,19,21H,2H2,1H3
InChIKeyROFLTMSYZSTHIG-UHFFFAOYSA-N
XLogP3.81
TPSA74.32 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 ≤ 53.81
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

4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136748829
4-bromo-N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516039
4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 135734076
4-bromo-N-[(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2643270
4-bromo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 110516037
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135715970
4-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 135675629
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 135892483
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
CID 2550408

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide (CID 2710523) is 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide is CCc1cccc2c(C=NNS(=O)(=O)c3ccc(Br)cc3)c[nH]c12.
What is the InChIKey of 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is ROFLTMSYZSTHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-2-12-4-3-5-16-13(10-19-17(12)16)11-20-21-24(22,23)15-8-6-14(18)7-9-15/h3-11,19,21H,2H2,1H3.
What are the key properties of 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 406.31 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2710523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).