N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide

C14H16FN3O2S — CID 103298569

IUPACN-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide
SMILESCC(c1cccc(N)c1)N(C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H16FN3O2S/c1-10(11-5-3-6-12(16)9-11)18(2)21(19,20)14-13(15)7-4-8-17-14/h3-10H,16H2,1-2H3
InChIKeyVICOMADESUSQPR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.18
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide

N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide (PubChem CID 103298569) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide
PubChem CID103298569
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide
SMILESCC(c1cccc(N)c1)N(C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H16FN3O2S/c1-10(11-5-3-6-12(16)9-11)18(2)21(19,20)14-13(15)7-4-8-17-14/h3-10H,16H2,1-2H3
InChIKeyVICOMADESUSQPR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-sulfonamide
CID 103300378
N-[1-(3-aminophenyl)ethyl]-2-bromo-N-methylbenzenesulfonamide
CID 43550366
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61140353
2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 65428183
N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857119
3-[1-[(2,6-difluorophenyl)methyl-methylamino]ethyl]aniline
CID 114930497
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide (CID 103298569) is N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide is CC(c1cccc(N)c1)N(C)S(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
The InChIKey is VICOMADESUSQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10(11-5-3-6-12(16)9-11)18(2)21(19,20)14-13(15)7-4-8-17-14/h3-10H,16H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-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 N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103298569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).