3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide

C13H17FN2O2S — CID 106164553

IUPAC3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCC2=CCCC2)ccc1F
InChIInChI=1S/C13H17FN2O2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8,15H2
InChIKeyLBPIWNOWEUCWGC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds5

About 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 106164553) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID106164553
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCC2=CCCC2)ccc1F
InChIInChI=1S/C13H17FN2O2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8,15H2
InChIKeyLBPIWNOWEUCWGC-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
CID 103844649
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-4-methoxybenzenesulfonamide
CID 106164718
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
N-[2-(cyclohexen-1-yl)ethyl]-4-fluoro-3-methoxybenzenesulfonamide
CID 8721900
3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
CID 106174188
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
N-[2-(cyclohexen-1-yl)ethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 126457199
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
N-[2-(cyclopenten-1-yl)ethyl]-3-fluoro-2-nitrobenzenesulfonamide
CID 103844648

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide (CID 106164553) is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)NCCC2=CCCC2)ccc1F.
What is the InChIKey of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is LBPIWNOWEUCWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h3,5-6,9,16H,1-2,4,7-8,15H2.
What are the key properties of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide?
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106164553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).