6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide

C14H8BrF3N2O2S — CID 135201012

IUPAC6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H8BrF3N2O2S/c15-7-1-2-8-12(3-7)19-6-14(8)23(21,22)20-13-5-10(17)9(16)4-11(13)18/h1-6,19-20H
InChIKeyXFOQUOHYKXNCEC-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.15
Rot. Bonds3

About 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide

6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide (PubChem CID 135201012) has the molecular formula C14H8BrF3N2O2S and a molecular weight of 405.20 g/mol. Its IUPAC name is 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
PubChem CID135201012
Molecular FormulaC14H8BrF3N2O2S
Molecular Weight405.20 g/mol
Exact Mass403.94
IUPAC Name6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C14H8BrF3N2O2S/c15-7-1-2-8-12(3-7)19-6-14(8)23(21,22)20-13-5-10(17)9(16)4-11(13)18/h1-6,19-20H
InChIKeyXFOQUOHYKXNCEC-UHFFFAOYSA-N
XLogP4.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide (CID 135201012) is 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
The InChIKey is XFOQUOHYKXNCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2O2S/c15-7-1-2-8-12(3-7)19-6-14(8)23(21,22)20-13-5-10(17)9(16)4-11(13)18/h1-6,19-20H.
What are the key properties of 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide?
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide has a molecular weight of 405.20 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135201012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).