cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate

C10H7BrF2N2O4S — CID 7485287

IUPACcyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate
SMILESN#CCOC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrF2N2O4S/c11-7-3-6(12)4-8(13)10(7)20(17,18)15-5-9(16)19-2-1-14/h3-4,15H,2,5H2
InChIKeyODQRFOWIYFRTLT-UHFFFAOYSA-N
MW369.14 g/mol
LogP1.07
Rot. Bonds5

About cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate

cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate (PubChem CID 7485287) has the molecular formula C10H7BrF2N2O4S and a molecular weight of 369.14 g/mol. Its IUPAC name is cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namecyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate
PubChem CID7485287
Molecular FormulaC10H7BrF2N2O4S
Molecular Weight369.14 g/mol
Exact Mass367.93
IUPAC Namecyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate
SMILESN#CCOC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrF2N2O4S/c11-7-3-6(12)4-8(13)10(7)20(17,18)15-5-9(16)19-2-1-14/h3-4,15H,2,5H2
InChIKeyODQRFOWIYFRTLT-UHFFFAOYSA-N
XLogP1.07
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
The IUPAC name of cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate (CID 7485287) is cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
The canonical SMILES for cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate is N#CCOC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
The InChIKey is ODQRFOWIYFRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O4S/c11-7-3-6(12)4-8(13)10(7)20(17,18)15-5-9(16)19-2-1-14/h3-4,15H,2,5H2.
What are the key properties of cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate?
cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate has a molecular weight of 369.14 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7485287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).