N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride

C12H18ClFN2O2S — CID 119985644

IUPACN-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2S.ClH/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14;/h1-2,5,7,9,11,15H,3-4,6,8,14H2;1H
InChIKeyMKSGCUWPNXWIJF-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.65
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119985644) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
PubChem CID119985644
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2S.ClH/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14;/h1-2,5,7,9,11,15H,3-4,6,8,14H2;1H
InChIKeyMKSGCUWPNXWIJF-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride (CID 119985644) is N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is MKSGCUWPNXWIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S.ClH/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14;/h1-2,5,7,9,11,15H,3-4,6,8,14H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).