N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride

C10H16Cl2N2O2S — CID 138677601

IUPACN-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride
SMILESCCN(c1ccc(Cl)cc1CN)S(C)(=O)=O.Cl
InChIInChI=1S/C10H15ClN2O2S.ClH/c1-3-13(16(2,14)15)10-5-4-9(11)6-8(10)7-12;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyWYGDYNUGNWVWKU-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride

N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride (PubChem CID 138677601) has the molecular formula C10H16Cl2N2O2S and a molecular weight of 299.22 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride
PubChem CID138677601
Molecular FormulaC10H16Cl2N2O2S
Molecular Weight299.22 g/mol
Exact Mass298.03
IUPAC NameN-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride
SMILESCCN(c1ccc(Cl)cc1CN)S(C)(=O)=O.Cl
InChIInChI=1S/C10H15ClN2O2S.ClH/c1-3-13(16(2,14)15)10-5-4-9(11)6-8(10)7-12;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyWYGDYNUGNWVWKU-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-bromophenyl)-N-ethylmethanesulfonamide
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1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride (CID 138677601) is N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride is CCN(c1ccc(Cl)cc1CN)S(C)(=O)=O.Cl.
What is the InChIKey of N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride?
The InChIKey is WYGDYNUGNWVWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S.ClH/c1-3-13(16(2,14)15)10-5-4-9(11)6-8(10)7-12;/h4-6H,3,7,12H2,1-2H3;1H.
What are the key properties of N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride?
N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride has a molecular weight of 299.22 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 138677601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).