1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide

C10H13Cl2NO2S — CID 63666395

IUPAC1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(Cc1ccccc1Cl)S(=O)(=O)CCl
InChIInChI=1S/C10H13Cl2NO2S/c1-2-13(16(14,15)8-11)7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChIKeyGLNCWACUYIQEKN-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.69
Rot. Bonds5

About 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide

1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide (PubChem CID 63666395) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide
PubChem CID63666395
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(Cc1ccccc1Cl)S(=O)(=O)CCl
InChIInChI=1S/C10H13Cl2NO2S/c1-2-13(16(14,15)8-11)7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChIKeyGLNCWACUYIQEKN-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutane-1-sulfonamide
CID 116815301
3-[(2-chlorophenyl)methyl-ethylsulfamoyl]propanoic acid
CID 60951558
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine
CID 124559501
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
CID 100625817
1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 63664523
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N,N-dibenzyl-1-chloromethanesulfonamide
CID 63666157
2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 889054
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide?
The IUPAC name of 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide (CID 63666395) is 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide is CCN(Cc1ccccc1Cl)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide?
The InChIKey is GLNCWACUYIQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-2-13(16(14,15)8-11)7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide?
1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 63666395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).