3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide

C14H21FN2O2S — CID 63287839

IUPAC3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H21FN2O2S/c1-2-17(12-5-3-4-6-12)20(18,19)13-7-8-14(15)11(9-13)10-16/h7-9,12H,2-6,10,16H2,1H3
InChIKeyQIAPSYHHIIMKCQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.24
Rot. Bonds5

About 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 63287839) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID63287839
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H21FN2O2S/c1-2-17(12-5-3-4-6-12)20(18,19)13-7-8-14(15)11(9-13)10-16/h7-9,12H,2-6,10,16H2,1H3
InChIKeyQIAPSYHHIIMKCQ-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 63289031
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 79113661
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide (CID 63287839) is 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is QIAPSYHHIIMKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-2-17(12-5-3-4-6-12)20(18,19)13-7-8-14(15)11(9-13)10-16/h7-9,12H,2-6,10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63287839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).