1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride

C12H19Cl3N2O2S — CID 120664609

IUPAC1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H18Cl2N2O2S.ClH/c1-3-15-9(2)7-16-19(17,18)8-10-4-5-11(13)12(14)6-10;/h4-6,9,15-16H,3,7-8H2,1-2H3;1H/t9-;/m1./s1
InChIKeyHQNXGSWYYBMERK-SBSPUUFOSA-N
MW361.72 g/mol
LogP2.83
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride

1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride (PubChem CID 120664609) has the molecular formula C12H19Cl3N2O2S and a molecular weight of 361.72 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
PubChem CID120664609
Molecular FormulaC12H19Cl3N2O2S
Molecular Weight361.72 g/mol
Exact Mass360.02
IUPAC Name1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C12H18Cl2N2O2S.ClH/c1-3-15-9(2)7-16-19(17,18)8-10-4-5-11(13)12(14)6-10;/h4-6,9,15-16H,3,7-8H2,1-2H3;1H/t9-;/m1./s1
InChIKeyHQNXGSWYYBMERK-SBSPUUFOSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
CID 56513128
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
CID 62837617
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide
CID 56514188
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride
CID 120724178

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride (CID 120664609) is 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride?
The InChIKey is HQNXGSWYYBMERK-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S.ClH/c1-3-15-9(2)7-16-19(17,18)8-10-4-5-11(13)12(14)6-10;/h4-6,9,15-16H,3,7-8H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride?
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride has a molecular weight of 361.72 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120664609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).