N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride

C13H23ClN2O2S — CID 67638849

IUPACN-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride
SMILESCCc1c(NS(C)(=O)=O)cccc1N(CC)CC.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-5-11-12(14-18(4,16)17)9-8-10-13(11)15(6-2)7-3;/h8-10,14H,5-7H2,1-4H3;1H
InChIKeyJJKACVAOVDKGLK-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.89
Rot. Bonds6

About N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride

N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride (PubChem CID 67638849) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride
PubChem CID67638849
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC NameN-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride
SMILESCCc1c(NS(C)(=O)=O)cccc1N(CC)CC.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-5-11-12(14-18(4,16)17)9-8-10-13(11)15(6-2)7-3;/h8-10,14H,5-7H2,1-4H3;1H
InChIKeyJJKACVAOVDKGLK-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride (CID 67638849) is N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride is CCc1c(NS(C)(=O)=O)cccc1N(CC)CC.Cl.
What is the InChIKey of N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride?
The InChIKey is JJKACVAOVDKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-5-11-12(14-18(4,16)17)9-8-10-13(11)15(6-2)7-3;/h8-10,14H,5-7H2,1-4H3;1H.
What are the key properties of N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride?
N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 67638849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).