(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

C16H14Cl2FNO4S — CID 7848916

IUPAC(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO4S/c1-20(25(22,23)12-7-5-11(19)6-8-12)9-16(21)24-10-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3
InChIKeyWJGUALPENMESQW-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.50
Rot. Bonds6

About (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate (PubChem CID 7848916) has the molecular formula C16H14Cl2FNO4S and a molecular weight of 406.26 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
PubChem CID7848916
Molecular FormulaC16H14Cl2FNO4S
Molecular Weight406.26 g/mol
Exact Mass405.00
IUPAC Name(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO4S/c1-20(25(22,23)12-7-5-11(19)6-8-12)9-16(21)24-10-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3
InChIKeyWJGUALPENMESQW-UHFFFAOYSA-N
XLogP3.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 55312041
(2-chloro-4-fluorophenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 42965831
(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 27028903
(4-fluorophenyl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 46529378
(2-nitrophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848591
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 42983127
[2-(3-fluorophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8676964
ethyl 3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 30023537
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 3409640
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 55311833
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848697

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate (CID 7848916) is (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is WJGUALPENMESQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO4S/c1-20(25(22,23)12-7-5-11(19)6-8-12)9-16(21)24-10-13-14(17)3-2-4-15(13)18/h2-8H,9-10H2,1H3.
What are the key properties of (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 406.26 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 7848916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).