2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide

C10H14Cl2N2O2S — CID 102674934

IUPAC2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-13-17(15,16)3-2-14-7-8-4-9(11)6-10(12)5-8/h4-6,13-14H,2-3,7H2,1H3
InChIKeyZSCXNXSBYPDNLE-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.63
Rot. Bonds6

About 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide

2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide (PubChem CID 102674934) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
PubChem CID102674934
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-13-17(15,16)3-2-14-7-8-4-9(11)6-10(12)5-8/h4-6,13-14H,2-3,7H2,1H3
InChIKeyZSCXNXSBYPDNLE-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.63
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

2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-N-methylethanesulfonamide
CID 114174793
N-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 102675085
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-N-methylethanesulfonamide
CID 102674765
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
2-(1,3-benzodioxol-5-ylmethylamino)-N-methylethanesulfonamide
CID 106333551
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylethanesulfonamide
CID 102674801
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
N-methyl-2-[(4-propoxyphenyl)methylamino]ethanesulfonamide
CID 102675093
2-[(4,5-dibromothiophen-2-yl)methylamino]-N-methylethanesulfonamide
CID 106333932
N-[(3,5-dichlorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551707

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide (CID 102674934) is 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide?
The InChIKey is ZSCXNXSBYPDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-13-17(15,16)3-2-14-7-8-4-9(11)6-10(12)5-8/h4-6,13-14H,2-3,7H2,1H3.
What are the key properties of 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide?
2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide is sourced from PubChem (CID 102674934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).