2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide

C14H16FN3O2S — CID 65428183

IUPAC2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C14H16FN3O2S/c1-10(11-5-7-12(15)8-6-11)18(2)21(19,20)13-4-3-9-17-14(13)16/h3-10H,1-2H3,(H2,16,17)
InChIKeyZYOYQBFKYWWKGX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide

2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 65428183) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
PubChem CID65428183
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C14H16FN3O2S/c1-10(11-5-7-12(15)8-6-11)18(2)21(19,20)13-4-3-9-17-14(13)16/h3-10H,1-2H3,(H2,16,17)
InChIKeyZYOYQBFKYWWKGX-UHFFFAOYSA-N
XLogP2.18
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide (CID 65428183) is 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide is CC(c1ccc(F)cc1)N(C)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is ZYOYQBFKYWWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10(11-5-7-12(15)8-6-11)18(2)21(19,20)13-4-3-9-17-14(13)16/h3-10H,1-2H3,(H2,16,17).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide?
2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 65428183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).