N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H17Cl2F3N2O2S — CID 119980855

IUPACN-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H16ClF3N2O2S.ClH/c14-9-3-4-11(10(7-9)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;1H
InChIKeyKFCOCKLNNJBOJS-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.33
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119980855) has the molecular formula C13H17Cl2F3N2O2S and a molecular weight of 393.26 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119980855
Molecular FormulaC13H17Cl2F3N2O2S
Molecular Weight393.26 g/mol
Exact Mass392.03
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H16ClF3N2O2S.ClH/c14-9-3-4-11(10(7-9)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;1H
InChIKeyKFCOCKLNNJBOJS-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119980855) is N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.NCC1(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is KFCOCKLNNJBOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2S.ClH/c14-9-3-4-11(10(7-9)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;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 393.26 g/mol, XLogP of 3.33, 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]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119980855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).