5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide

C14H21FN2O2S — CID 106066036

IUPAC5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(CN)ccc1F)C1CCCC1
InChIInChI=1S/C14H21FN2O2S/c1-10(12-4-2-3-5-12)17-20(18,19)14-8-11(9-16)6-7-13(14)15/h6-8,10,12,17H,2-5,9,16H2,1H3
InChIKeyGJXQFZFNBWOGFQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.14
Rot. Bonds5

About 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide

5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide (PubChem CID 106066036) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
PubChem CID106066036
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(CN)ccc1F)C1CCCC1
InChIInChI=1S/C14H21FN2O2S/c1-10(12-4-2-3-5-12)17-20(18,19)14-8-11(9-16)6-7-13(14)15/h6-8,10,12,17H,2-5,9,16H2,1H3
InChIKeyGJXQFZFNBWOGFQ-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106066144
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 106054235
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106003394
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide (CID 106066036) is 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1cc(CN)ccc1F)C1CCCC1.
What is the InChIKey of 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide?
The InChIKey is GJXQFZFNBWOGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10(12-4-2-3-5-12)17-20(18,19)14-8-11(9-16)6-7-13(14)15/h6-8,10,12,17H,2-5,9,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106066036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).