N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride

C15H23ClF2N2O3S — CID 119572048

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1.Cl
InChIInChI=1S/C15H22F2N2O3S.ClH/c1-3-15(4-2,10-18)19-13(20)12-7-5-11(6-8-12)9-23(21,22)14(16)17;/h5-8,14H,3-4,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyDZSWDGGUBCVHML-UHFFFAOYSA-N
MW384.88 g/mol
LogP2.49
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride (PubChem CID 119572048) has the molecular formula C15H23ClF2N2O3S and a molecular weight of 384.88 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
PubChem CID119572048
Molecular FormulaC15H23ClF2N2O3S
Molecular Weight384.88 g/mol
Exact Mass384.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1.Cl
InChIInChI=1S/C15H22F2N2O3S.ClH/c1-3-15(4-2,10-18)19-13(20)12-7-5-11(6-8-12)9-23(21,22)14(16)17;/h5-8,14H,3-4,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyDZSWDGGUBCVHML-UHFFFAOYSA-N
XLogP2.49
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119571299
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CID 119570827
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 103890885
N-[(2S)-1-aminopropan-2-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 120508261
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119568876
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
CID 119588784
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 119570566
N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119570954
N-[3-(aminomethyl)pentan-3-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119571744

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride (CID 119572048) is N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride?
The InChIKey is DZSWDGGUBCVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S.ClH/c1-3-15(4-2,10-18)19-13(20)12-7-5-11(6-8-12)9-23(21,22)14(16)17;/h5-8,14H,3-4,9-10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride has a molecular weight of 384.88 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119572048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).