N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H18ClF3N2O2S — CID 119985718

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)10-5-1-2-7-12(10)21(19,20)18-11-6-3-4-9(11)8-17;/h1-2,5,7,9,11,18H,3-4,6,8,17H2;1H
InChIKeyOJXXHSAEWZYDFP-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.53
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119985718) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119985718
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)10-5-1-2-7-12(10)21(19,20)18-11-6-3-4-9(11)8-17;/h1-2,5,7,9,11,18H,3-4,6,8,17H2;1H
InChIKeyOJXXHSAEWZYDFP-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 114293669
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119985718) is N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is OJXXHSAEWZYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)10-5-1-2-7-12(10)21(19,20)18-11-6-3-4-9(11)8-17;/h1-2,5,7,9,11,18H,3-4,6,8,17H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.53, 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-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).