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

C13H7Cl2F2N3O2S — CID 135187121

IUPAC6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1nc(F)c(Cl)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H7Cl2F2N3O2S/c14-6-1-2-7-10(3-6)18-5-11(7)23(21,22)20-13-9(16)4-8(15)12(17)19-13/h1-5,18H,(H,19,20)
InChIKeyUSAJSDTYBXOLJI-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.95
Rot. Bonds3

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

6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide (PubChem CID 135187121) has the molecular formula C13H7Cl2F2N3O2S and a molecular weight of 378.19 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
PubChem CID135187121
Molecular FormulaC13H7Cl2F2N3O2S
Molecular Weight378.19 g/mol
Exact Mass376.96
IUPAC Name6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1nc(F)c(Cl)cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H7Cl2F2N3O2S/c14-6-1-2-7-10(3-6)18-5-11(7)23(21,22)20-13-9(16)4-8(15)12(17)19-13/h1-5,18H,(H,19,20)
InChIKeyUSAJSDTYBXOLJI-UHFFFAOYSA-N
XLogP3.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.95
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 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide (CID 135187121) is 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide is O=S(=O)(Nc1nc(F)c(Cl)cc1F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
The InChIKey is USAJSDTYBXOLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2N3O2S/c14-6-1-2-7-10(3-6)18-5-11(7)23(21,22)20-13-9(16)4-8(15)12(17)19-13/h1-5,18H,(H,19,20).
What are the key properties of 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide?
6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide has a molecular weight of 378.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135187121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).