N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride

C14H24ClFN2O2S — CID 119981261

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(C)c(F)c(C)c1.Cl
InChIInChI=1S/C14H23FN2O2S.ClH/c1-5-14(6-2,9-16)17-20(18,19)12-7-10(3)13(15)11(4)8-12;/h7-8,17H,5-6,9,16H2,1-4H3;1H
InChIKeyDASRDFGCAUSJFU-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.66
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119981261) has the molecular formula C14H24ClFN2O2S and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119981261
Molecular FormulaC14H24ClFN2O2S
Molecular Weight338.88 g/mol
Exact Mass338.12
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(C)c(F)c(C)c1.Cl
InChIInChI=1S/C14H23FN2O2S.ClH/c1-5-14(6-2,9-16)17-20(18,19)12-7-10(3)13(15)11(4)8-12;/h7-8,17H,5-6,9,16H2,1-4H3;1H
InChIKeyDASRDFGCAUSJFU-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119981274
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710294
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-[3-(aminomethyl)pentan-3-yl]-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120710325
5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-2-methylbenzamide
CID 63888193
3-(aminomethyl)-N-tert-butyl-4-fluoro-5-methylbenzenesulfonamide
CID 81435748
N-[3-(aminomethyl)pentan-3-yl]-2,3,4-trifluorobenzenesulfonamide
CID 63888397
N-[3-(aminomethyl)pentan-3-yl]-3-bromo-5-cyanobenzenesulfonamide;hydrochloride
CID 119981136
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119981346

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride (CID 119981261) is N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1cc(C)c(F)c(C)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is DASRDFGCAUSJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S.ClH/c1-5-14(6-2,9-16)17-20(18,19)12-7-10(3)13(15)11(4)8-12;/h7-8,17H,5-6,9,16H2,1-4H3;1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119981261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).