N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide

C16H14Cl2FNO3S — CID 34391326

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2FNO3S/c1-20(9-13-14(18)3-2-4-15(13)19)16(21)10-24(22,23)12-7-5-11(17)6-8-12/h2-8H,9-10H2,1H3
InChIKeyQHXSDAGNTMOLHJ-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.56
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide (PubChem CID 34391326) has the molecular formula C16H14Cl2FNO3S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
PubChem CID34391326
Molecular FormulaC16H14Cl2FNO3S
Molecular Weight390.26 g/mol
Exact Mass389.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2FNO3S/c1-20(9-13-14(18)3-2-4-15(13)19)16(21)10-24(22,23)12-7-5-11(17)6-8-12/h2-8H,9-10H2,1H3
InChIKeyQHXSDAGNTMOLHJ-UHFFFAOYSA-N
XLogP3.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 31988550
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 18124124
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 46608995
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide (CID 34391326) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
The InChIKey is QHXSDAGNTMOLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO3S/c1-20(9-13-14(18)3-2-4-15(13)19)16(21)10-24(22,23)12-7-5-11(17)6-8-12/h2-8H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide has a molecular weight of 390.26 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 34391326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).