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

C11H17FN2O2S — CID 54944387

IUPAC3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C11H17FN2O2S/c12-11-4-1-3-10(9-11)5-7-14-17(15,16)8-2-6-13/h1,3-4,9,14H,2,5-8,13H2
InChIKeyYJIAUNGVCRBFRW-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.64
Rot. Bonds7

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

3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide (PubChem CID 54944387) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
PubChem CID54944387
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C11H17FN2O2S/c12-11-4-1-3-10(9-11)5-7-14-17(15,16)8-2-6-13/h1,3-4,9,14H,2,5-8,13H2
InChIKeyYJIAUNGVCRBFRW-UHFFFAOYSA-N
XLogP0.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 62615783
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
4-chloro-N-[(3-fluorophenyl)methyl]butane-1-sulfonamide
CID 116815181
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide
CID 127505076
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butane-1-sulfonamide
CID 61456383
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
2-(3-fluorophenyl)ethanesulfonyl chloride
CID 2759097

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide (CID 54944387) is 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide is NCCCS(=O)(=O)NCCc1cccc(F)c1.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
The InChIKey is YJIAUNGVCRBFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c12-11-4-1-3-10(9-11)5-7-14-17(15,16)8-2-6-13/h1,3-4,9,14H,2,5-8,13H2.
What are the key properties of 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide?
3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide has a molecular weight of 260.33 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 54944387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).