N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide

C13H7BrClF2N3O2S — CID 135187145

IUPACN-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1nc(F)c(Br)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H7BrClF2N3O2S/c14-8-4-9(16)13(19-12(8)17)20-23(21,22)11-5-18-10-3-6(15)1-2-7(10)11/h1-5,18H,(H,19,20)
InChIKeyYNGGXFSUUDCESC-UHFFFAOYSA-N
MW422.64 g/mol
LogP4.06
Rot. Bonds3

About N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide

N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide (PubChem CID 135187145) has the molecular formula C13H7BrClF2N3O2S and a molecular weight of 422.64 g/mol. Its IUPAC name is N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide
PubChem CID135187145
Molecular FormulaC13H7BrClF2N3O2S
Molecular Weight422.64 g/mol
Exact Mass420.91
IUPAC NameN-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1nc(F)c(Br)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H7BrClF2N3O2S/c14-8-4-9(16)13(19-12(8)17)20-23(21,22)11-5-18-10-3-6(15)1-2-7(10)11/h1-5,18H,(H,19,20)
InChIKeyYNGGXFSUUDCESC-UHFFFAOYSA-N
XLogP4.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide?
The IUPAC name of N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide (CID 135187145) is N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide?
The canonical SMILES for N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide is O=S(=O)(Nc1nc(F)c(Br)cc1F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide?
The InChIKey is YNGGXFSUUDCESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2N3O2S/c14-8-4-9(16)13(19-12(8)17)20-23(21,22)11-5-18-10-3-6(15)1-2-7(10)11/h1-5,18H,(H,19,20).
What are the key properties of N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide?
N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide has a molecular weight of 422.64 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3,6-difluoro-2-pyridinyl)-6-chloro-1H-indole-3-sulfonamide is sourced from PubChem (CID 135187145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).