N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride

C14H22ClFN2O2S — CID 119986199

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S.ClH/c15-13-7-5-11(6-8-13)10-20(18,19)17-14-4-2-1-3-12(14)9-16;/h5-8,12,14,17H,1-4,9-10,16H2;1H
InChIKeyWUTLPKFFDVWANY-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride (PubChem CID 119986199) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
PubChem CID119986199
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2S.ClH/c15-13-7-5-11(6-8-13)10-20(18,19)17-14-4-2-1-3-12(14)9-16;/h5-8,12,14,17H,1-4,9-10,16H2;1H
InChIKeyWUTLPKFFDVWANY-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride (CID 119986199) is N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride is Cl.NCC1CCCCC1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is WUTLPKFFDVWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S.ClH/c15-13-7-5-11(6-8-13)10-20(18,19)17-14-4-2-1-3-12(14)9-16;/h5-8,12,14,17H,1-4,9-10,16H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119986199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).