N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride

C13H20ClFN2O2S — CID 119980798

IUPACN-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-10-4-5-11(14)8-12(10)19(17,18)16-13(9-15)6-2-3-7-13;/h4-5,8,16H,2-3,6-7,9,15H2,1H3;1H
InChIKeyBUTNSSRAURIUGG-UHFFFAOYSA-N
MW322.83 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119980798) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119980798
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-10-4-5-11(14)8-12(10)19(17,18)16-13(9-15)6-2-3-7-13;/h4-5,8,16H,2-3,6-7,9,15H2,1H3;1H
InChIKeyBUTNSSRAURIUGG-UHFFFAOYSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114293734
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 63889192
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 115308803
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325936
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzenesulfonamide
CID 63888008
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 119980805
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride (CID 119980798) is N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride is Cc1ccc(F)cc1S(=O)(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is BUTNSSRAURIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-10-4-5-11(14)8-12(10)19(17,18)16-13(9-15)6-2-3-7-13;/h4-5,8,16H,2-3,6-7,9,15H2,1H3;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119980798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).