(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate

C17H16ClFN2O5S — CID 7826773

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O5S/c1-11(22)21-12-5-7-13(8-6-12)27(24,25)20-9-17(23)26-10-14-15(18)3-2-4-16(14)19/h2-8,20H,9-10H2,1H3,(H,21,22)
InChIKeyCIYCHIUYBNSNQU-UHFFFAOYSA-N
MW414.84 g/mol
LogP2.46
Rot. Bonds7

About (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate

(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 7826773) has the molecular formula C17H16ClFN2O5S and a molecular weight of 414.84 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID7826773
Molecular FormulaC17H16ClFN2O5S
Molecular Weight414.84 g/mol
Exact Mass414.05
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O5S/c1-11(22)21-12-5-7-13(8-6-12)27(24,25)20-9-17(23)26-10-14-15(18)3-2-4-16(14)19/h2-8,20H,9-10H2,1H3,(H,21,22)
InChIKeyCIYCHIUYBNSNQU-UHFFFAOYSA-N
XLogP2.46
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 7826773) is (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is CIYCHIUYBNSNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O5S/c1-11(22)21-12-5-7-13(8-6-12)27(24,25)20-9-17(23)26-10-14-15(18)3-2-4-16(14)19/h2-8,20H,9-10H2,1H3,(H,21,22).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 414.84 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7826773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).