N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide

C13H16F4N2O2S — CID 120710188

IUPACN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CCCC1
InChIInChI=1S/C13H16F4N2O2S/c14-11-7-9(3-4-10(11)13(15,16)17)22(20,21)19-12(8-18)5-1-2-6-12/h3-4,7,19H,1-2,5-6,8,18H2
InChIKeyDHGQLMZVRGGVJQ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.39
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 120710188) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
PubChem CID120710188
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CCCC1
InChIInChI=1S/C13H16F4N2O2S/c14-11-7-9(3-4-10(11)13(15,16)17)22(20,21)19-12(8-18)5-1-2-6-12/h3-4,7,19H,1-2,5-6,8,18H2
InChIKeyDHGQLMZVRGGVJQ-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120710187
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844866
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119980966
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
CID 119980930

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide (CID 120710188) is N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide is NCC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DHGQLMZVRGGVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c14-11-7-9(3-4-10(11)13(15,16)17)22(20,21)19-12(8-18)5-1-2-6-12/h3-4,7,19H,1-2,5-6,8,18H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 340.34 g/mol, XLogP of 2.39, 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]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120710188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).