1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride

C10H15Cl3N2O2S — CID 119972960

IUPAC1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/c1-13-2-3-14-17(15,16)7-8-4-9(11)6-10(12)5-8;/h4-6,13-14H,2-3,7H2,1H3;1H
InChIKeyBJZOFYPUEMDMLW-UHFFFAOYSA-N
MW333.67 g/mol
LogP2.05
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride

1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride (PubChem CID 119972960) has the molecular formula C10H15Cl3N2O2S and a molecular weight of 333.67 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
PubChem CID119972960
Molecular FormulaC10H15Cl3N2O2S
Molecular Weight333.67 g/mol
Exact Mass331.99
IUPAC Name1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/c1-13-2-3-14-17(15,16)7-8-4-9(11)6-10(12)5-8;/h4-6,13-14H,2-3,7H2,1H3;1H
InChIKeyBJZOFYPUEMDMLW-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 119964749
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75384497
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
CID 120720466
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
N-(1-aminohexan-2-yl)-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119993027
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
CID 102674934
N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
CID 62531388

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride (CID 119972960) is 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride is CNCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride?
The InChIKey is BJZOFYPUEMDMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S.ClH/c1-13-2-3-14-17(15,16)7-8-4-9(11)6-10(12)5-8;/h4-6,13-14H,2-3,7H2,1H3;1H.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride?
1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride has a molecular weight of 333.67 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119972960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).