3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide

C14H21FN2O3S — CID 63827191

IUPAC3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NCCOC2CCCC2)ccc1F
InChIInChI=1S/C14H21FN2O3S/c15-14-6-5-13(9-11(14)10-16)21(18,19)17-7-8-20-12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8,10,16H2
InChIKeyVWKYVFYCZXYSKY-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.52
Rot. Bonds7

About 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide (PubChem CID 63827191) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
PubChem CID63827191
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NCCOC2CCCC2)ccc1F
InChIInChI=1S/C14H21FN2O3S/c15-14-6-5-13(9-11(14)10-16)21(18,19)17-7-8-20-12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8,10,16H2
InChIKeyVWKYVFYCZXYSKY-UHFFFAOYSA-N
XLogP1.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 28716684
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
CID 63823533
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonylamino]ethylurea
CID 83117043
5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
CID 65022454
3-(aminomethyl)-4-fluoro-N-(5-methylhexyl)benzenesulfonamide
CID 115325164
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide (CID 63827191) is 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide is NCc1cc(S(=O)(=O)NCCOC2CCCC2)ccc1F.
What is the InChIKey of 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide?
The InChIKey is VWKYVFYCZXYSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c15-14-6-5-13(9-11(14)10-16)21(18,19)17-7-8-20-12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8,10,16H2.
What are the key properties of 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63827191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).