2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide

C10H12Cl2FNO2S — CID 107650651

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)CCCl
InChIInChI=1S/C10H12Cl2FNO2S/c1-14(17(15,16)6-5-11)7-8-9(12)3-2-4-10(8)13/h2-4H,5-7H2,1H3
InChIKeyBXAACLGCXDRADD-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.48
Rot. Bonds5

About 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide (PubChem CID 107650651) has the molecular formula C10H12Cl2FNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
PubChem CID107650651
Molecular FormulaC10H12Cl2FNO2S
Molecular Weight300.18 g/mol
Exact Mass298.99
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)CCCl
InChIInChI=1S/C10H12Cl2FNO2S/c1-14(17(15,16)6-5-11)7-8-9(12)3-2-4-10(8)13/h2-4H,5-7H2,1H3
InChIKeyBXAACLGCXDRADD-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.48
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

3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 79580202
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61127332
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 112845360
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 18080162
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 35303260
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 55731451
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 63389222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide (CID 107650651) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide is CN(Cc1c(F)cccc1Cl)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide?
The InChIKey is BXAACLGCXDRADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FNO2S/c1-14(17(15,16)6-5-11)7-8-9(12)3-2-4-10(8)13/h2-4H,5-7H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide has a molecular weight of 300.18 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 107650651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).