2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide

C15H19FN2O2S — CID 64687486

IUPAC2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(F)cc2C#CCN)CCCC1
InChIInChI=1S/C15H19FN2O2S/c1-15(8-2-3-9-15)18-21(19,20)14-7-6-13(16)11-12(14)5-4-10-17/h6-7,11,18H,2-3,8-10,17H2,1H3
InChIKeyWBIFTOFHYMJZIY-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide

2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide (PubChem CID 64687486) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
PubChem CID64687486
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(F)cc2C#CCN)CCCC1
InChIInChI=1S/C15H19FN2O2S/c1-15(8-2-3-9-15)18-21(19,20)14-7-6-13(16)11-12(14)5-4-10-17/h6-7,11,18H,2-3,8-10,17H2,1H3
InChIKeyWBIFTOFHYMJZIY-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 61364584
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61167092
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide
CID 60843766
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]propanamide
CID 60845886
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzenesulfonamide
CID 60846049
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 103064513
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
1-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylpiperidin-3-ol
CID 61439582
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1-methylpyrazole-4-sulfonamide
CID 62063018

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide (CID 64687486) is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccc(F)cc2C#CCN)CCCC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The InChIKey is WBIFTOFHYMJZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-15(8-2-3-9-15)18-21(19,20)14-7-6-13(16)11-12(14)5-4-10-17/h6-7,11,18H,2-3,8-10,17H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide has a molecular weight of 310.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 64687486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).