N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide

C13H13BrFN3O2S — CID 62148877

IUPACN-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-12(4-3-7-17-13)21(19,20)18-11-6-5-9(14)8-10(11)15/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyXTGOXGYJNYPYRD-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.22
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide

N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62148877) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62148877
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-12(4-3-7-17-13)21(19,20)18-11-6-5-9(14)8-10(11)15/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyXTGOXGYJNYPYRD-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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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 81280535
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
2-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043589
N-(4-chloro-2-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107630667
N-(2,4-difluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143667
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 62143490
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
N-(2-chloro-4-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107606006
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62162278
N-(2-cyanophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62143298
2-(ethylamino)-N-pyridin-4-ylpyridine-3-sulfonamide
CID 62143000

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide (CID 62148877) is N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is XTGOXGYJNYPYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-2-16-13-12(4-3-7-17-13)21(19,20)18-11-6-5-9(14)8-10(11)15/h3-8,18H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide?
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)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 N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62148877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).