N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride

C12H20ClFN2O2S — CID 119981274

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C12H19FN2O2S.ClH/c1-3-12(4-2,9-14)15-18(16,17)11-7-5-6-10(13)8-11;/h5-8,15H,3-4,9,14H2,1-2H3;1H
InChIKeyVUUHRROCBVEOKI-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119981274) has the molecular formula C12H20ClFN2O2S and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
PubChem CID119981274
Molecular FormulaC12H20ClFN2O2S
Molecular Weight310.82 g/mol
Exact Mass310.09
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C12H19FN2O2S.ClH/c1-3-12(4-2,9-14)15-18(16,17)11-7-5-6-10(13)8-11;/h5-8,15H,3-4,9,14H2,1-2H3;1H
InChIKeyVUUHRROCBVEOKI-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[3-(aminomethyl)pentan-3-yl]-3-iodobenzenesulfonamide
CID 119981566
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
CID 115310585
N-(3-cyanopentan-3-yl)-3-fluorobenzenesulfonamide
CID 61123913
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 61124942
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
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]-3-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride (CID 119981274) is N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1cccc(F)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is VUUHRROCBVEOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S.ClH/c1-3-12(4-2,9-14)15-18(16,17)11-7-5-6-10(13)8-11;/h5-8,15H,3-4,9,14H2,1-2H3;1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.04, 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]-3-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119981274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).