5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide

C13H13BrFN3O2S — CID 62143490

IUPAC5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-12(7-9(14)8-17-13)21(19,20)18-11-6-4-3-5-10(11)15/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyIPXBEVLRDOKOOD-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.22
Rot. Bonds5

About 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide (PubChem CID 62143490) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
PubChem CID62143490
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-12(7-9(14)8-17-13)21(19,20)18-11-6-4-3-5-10(11)15/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyIPXBEVLRDOKOOD-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide (CID 62143490) is 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide?
The InChIKey is IPXBEVLRDOKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-2-16-13-12(7-9(14)8-17-13)21(19,20)18-11-6-4-3-5-10(11)15/h3-8,18H,2H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide has a molecular weight of 374.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62143490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).