N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride

C9H13Cl3N2O2S — CID 86780512

IUPACN-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S.ClH/c10-8-2-1-7(5-9(8)11)6-16(14,15)13-4-3-12;/h1-2,5,13H,3-4,6,12H2;1H
InChIKeyCOUBAKHGLBPSRN-UHFFFAOYSA-N
MW319.64 g/mol
LogP1.79
Rot. Bonds5

About N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride

N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride (PubChem CID 86780512) has the molecular formula C9H13Cl3N2O2S and a molecular weight of 319.64 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
PubChem CID86780512
Molecular FormulaC9H13Cl3N2O2S
Molecular Weight319.64 g/mol
Exact Mass317.98
IUPAC NameN-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S.ClH/c10-8-2-1-7(5-9(8)11)6-16(14,15)13-4-3-12;/h1-2,5,13H,3-4,6,12H2;1H
InChIKeyCOUBAKHGLBPSRN-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
CID 56513128
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664609
N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119985751
1-(3,4-dichlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
CID 56581685
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)methanesulfonamide;hydrochloride
CID 120724178
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-(3-chloro-4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 120875993
3-[(3,4-dichlorophenyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071355

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride (CID 86780512) is N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is COUBAKHGLBPSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S.ClH/c10-8-2-1-7(5-9(8)11)6-16(14,15)13-4-3-12;/h1-2,5,13H,3-4,6,12H2;1H.
What are the key properties of N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 319.64 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 86780512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).