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

C13H13BrFN3O2S — CID 62156932

IUPAC2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)c1ccccc1F
InChIInChI=1S/C13H13BrFN3O2S/c1-8(10-4-2-3-5-11(10)15)18-21(19,20)12-6-9(14)7-17-13(12)16/h2-8,18H,1H3,(H2,16,17)
InChIKeyHHSWLEUCKOZLOP-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.60
Rot. Bonds4

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

2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 62156932) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID62156932
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)c1ccccc1F
InChIInChI=1S/C13H13BrFN3O2S/c1-8(10-4-2-3-5-11(10)15)18-21(19,20)12-6-9(14)7-17-13(12)16/h2-8,18H,1H3,(H2,16,17)
InChIKeyHHSWLEUCKOZLOP-UHFFFAOYSA-N
XLogP2.60
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 172842404
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide
CID 62158602
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 104854801
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 62156932) is 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cc(Br)cnc1N)c1ccccc1F.
What is the InChIKey of 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is HHSWLEUCKOZLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-8(10-4-2-3-5-11(10)15)18-21(19,20)12-6-9(14)7-17-13(12)16/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.60, 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-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62156932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).