3,5-Dichloro-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide

HCID 60036633

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Basic information

CAS: 646040-54-2
Standard SMILES: O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(Cl)c(O)c(Cl)c1
InChIKey: VYKLAHKSMUZQBP-UHFFFAOYSA-N
Molecular formula: C16H14Cl2N2O3S
Average molar mass: 385.3 g/mol
Monoisotopic mass: 384.0102189

Names & identifiers

Preferred name: 3,5-Dichloro-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
IUPAC: 3,5-dichloro-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide

Names & synonyms

646040-54-2N-(2-(1H-Indol-3-yl)ethyl)-3,5-dichloro-4-hydroxybenzenesulfonamideSCHEMBL5228650DTXSID907334963,5-Dichloro-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide

Database identifiers

CAS: 646040-54-2
PubChem CID: 60036633
DTXSID: DTXSID90733496

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 90.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 516

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