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

C12H17FN2O2S — CID 28716664

IUPAC3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C12H17FN2O2S/c13-12-6-5-11(7-9(12)8-14)18(16,17)15-10-3-1-2-4-10/h5-7,10,15H,1-4,8,14H2
InChIKeyGMKHAXLKKVHSFZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.51
Rot. Bonds4

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

3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide (PubChem CID 28716664) has the molecular formula C12H17FN2O2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
PubChem CID28716664
Molecular FormulaC12H17FN2O2S
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C12H17FN2O2S/c13-12-6-5-11(7-9(12)8-14)18(16,17)15-10-3-1-2-4-10/h5-7,10,15H,1-4,8,14H2
InChIKeyGMKHAXLKKVHSFZ-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288721
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
3-(aminomethyl)-4-chloro-N-cyclohexyl-5-fluorobenzenesulfonamide
CID 81456909
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
3-(aminomethyl)-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 106029558

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide (CID 28716664) is 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide is NCc1cc(S(=O)(=O)NC2CCCC2)ccc1F.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide?
The InChIKey is GMKHAXLKKVHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-12-6-5-11(7-9(12)8-14)18(16,17)15-10-3-1-2-4-10/h5-7,10,15H,1-4,8,14H2.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28716664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).