(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

C16H14ClF2NO4S — CID 27028903

IUPAC(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCc1cccc(F)c1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF2NO4S/c1-20(25(22,23)13-7-5-12(17)6-8-13)9-15(21)24-10-11-3-2-4-14(18)16(11)19/h2-8H,9-10H2,1H3
InChIKeyRMXFEAVZALMPEM-UHFFFAOYSA-N
MW389.81 g/mol
LogP2.98
Rot. Bonds6

About (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 27028903) has the molecular formula C16H14ClF2NO4S and a molecular weight of 389.81 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID27028903
Molecular FormulaC16H14ClF2NO4S
Molecular Weight389.81 g/mol
Exact Mass389.03
IUPAC Name(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCc1cccc(F)c1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF2NO4S/c1-20(25(22,23)13-7-5-12(17)6-8-13)9-15(21)24-10-11-3-2-4-14(18)16(11)19/h2-8H,9-10H2,1H3
InChIKeyRMXFEAVZALMPEM-UHFFFAOYSA-N
XLogP2.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848916
(2-chloro-4-fluorophenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 42965831
(2-nitrophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848591
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 27028957
(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 46617678
[2-(4-methylphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2339654
(3-bromophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 55312041
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 40778693
(2-bromo-3-pyridinyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 60581225
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2386619
(4-fluorophenyl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 46529378
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (CID 27028903) is (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OCc1cccc(F)c1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is RMXFEAVZALMPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S/c1-20(25(22,23)13-7-5-12(17)6-8-13)9-15(21)24-10-11-3-2-4-14(18)16(11)19/h2-8H,9-10H2,1H3.
What are the key properties of (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 389.81 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 27028903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).