2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide

C13H11BrCl2FN3O2S — CID 172842404

IUPAC2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H11BrCl2FN3O2S/c1-6(11-8(15)2-3-9(17)12(11)16)20-23(21,22)10-4-7(14)5-19-13(10)18/h2-6,20H,1H3,(H2,18,19)
InChIKeyWYVBNBQIXYUUBI-UHFFFAOYSA-N
MW443.13 g/mol
LogP3.91
Rot. Bonds4

About 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 172842404) has the molecular formula C13H11BrCl2FN3O2S and a molecular weight of 443.13 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID172842404
Molecular FormulaC13H11BrCl2FN3O2S
Molecular Weight443.13 g/mol
Exact Mass440.91
IUPAC Name2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H11BrCl2FN3O2S/c1-6(11-8(15)2-3-9(17)12(11)16)20-23(21,22)10-4-7(14)5-19-13(10)18/h2-6,20H,1H3,(H2,18,19)
InChIKeyWYVBNBQIXYUUBI-UHFFFAOYSA-N
XLogP3.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.13
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 172842404) is 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is WYVBNBQIXYUUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2FN3O2S/c1-6(11-8(15)2-3-9(17)12(11)16)20-23(21,22)10-4-7(14)5-19-13(10)18/h2-6,20H,1H3,(H2,18,19).
What are the key properties of 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 443.13 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 172842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).