N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide

C10H13Cl2NO2S — CID 60745550

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)S(C)(=O)=O
InChIInChI=1S/C10H13Cl2NO2S/c1-7(13(2)16(3,14)15)9-5-4-8(11)6-10(9)12/h4-7H,1-3H3
InChIKeyVEKMJKNYTBAEIC-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.95
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide

N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide (PubChem CID 60745550) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide
PubChem CID60745550
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)S(C)(=O)=O
InChIInChI=1S/C10H13Cl2NO2S/c1-7(13(2)16(3,14)15)9-5-4-8(11)6-10(9)12/h4-7H,1-3H3
InChIKeyVEKMJKNYTBAEIC-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268025
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
CID 164639260
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 55598828
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79557984
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
N-[1-(2,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635920
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide (CID 60745550) is N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide is CC(c1ccc(Cl)cc1Cl)N(C)S(C)(=O)=O.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide?
The InChIKey is VEKMJKNYTBAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-7(13(2)16(3,14)15)9-5-4-8(11)6-10(9)12/h4-7H,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide?
N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 60745550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).