2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide

C16H16N2O3S2 — CID 71582840

IUPAC2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12
InChIInChI=1S/C16H16N2O3S2/c17-23(19,20)14-8-4-5-12-11-15(18-16(12)14)22-10-9-21-13-6-2-1-3-7-13/h1-8,11,18H,9-10H2,(H2,17,19,20)
InChIKeyANFHSVOTUGCGOQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.99
Rot. Bonds6

About 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide

2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide (PubChem CID 71582840) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide.

Molecular Properties

Compound Name2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide
PubChem CID71582840
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12
InChIInChI=1S/C16H16N2O3S2/c17-23(19,20)14-8-4-5-12-11-15(18-16(12)14)22-10-9-21-13-6-2-1-3-7-13/h1-8,11,18H,9-10H2,(H2,17,19,20)
InChIKeyANFHSVOTUGCGOQ-UHFFFAOYSA-N
XLogP2.99
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide?
The IUPAC name of 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide (CID 71582840) is 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide.
What is the SMILES notation for 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide?
The canonical SMILES for 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide is NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12.
What is the InChIKey of 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide?
The InChIKey is ANFHSVOTUGCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c17-23(19,20)14-8-4-5-12-11-15(18-16(12)14)22-10-9-21-13-6-2-1-3-7-13/h1-8,11,18H,9-10H2,(H2,17,19,20).
What are the key properties of 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide?
2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylsulfanyl)-1H-indole-7-sulfonamide is sourced from PubChem (CID 71582840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).