N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide

C14H16FN3O2S — CID 80505696

IUPACN-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
SMILESNC(CCNS(=O)(=O)c1cncc(F)c1)c1ccccc1
InChIInChI=1S/C14H16FN3O2S/c15-12-8-13(10-17-9-12)21(19,20)18-7-6-14(16)11-4-2-1-3-5-11/h1-5,8-10,14,18H,6-7,16H2
InChIKeyJVGBIBVRYKUOSP-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.59
Rot. Bonds6

About N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide

N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide (PubChem CID 80505696) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
PubChem CID80505696
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
SMILESNC(CCNS(=O)(=O)c1cncc(F)c1)c1ccccc1
InChIInChI=1S/C14H16FN3O2S/c15-12-8-13(10-17-9-12)21(19,20)18-7-6-14(16)11-4-2-1-3-5-11/h1-5,8-10,14,18H,6-7,16H2
InChIKeyJVGBIBVRYKUOSP-UHFFFAOYSA-N
XLogP1.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid
CID 138041125
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
CID 97238580
N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
CID 62664626
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
CID 97238577
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
N-(3-amino-3-phenylpropyl)-1-methylimidazole-4-sulfonamide
CID 80506785

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide (CID 80505696) is N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide is NC(CCNS(=O)(=O)c1cncc(F)c1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is JVGBIBVRYKUOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-12-8-13(10-17-9-12)21(19,20)18-7-6-14(16)11-4-2-1-3-5-11/h1-5,8-10,14,18H,6-7,16H2.
What are the key properties of N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide?
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 80505696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).