methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate

C6H7ClN2O4S2 — CID 43455794

IUPACmethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H7ClN2O4S2/c1-13-4(10)2-9-15(11,12)5-3-8-6(7)14-5/h3,9H,2H2,1H3
InChIKeyYLAJBGGOBQPRDD-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.25
Rot. Bonds4

About methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate

methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate (PubChem CID 43455794) has the molecular formula C6H7ClN2O4S2 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate
PubChem CID43455794
Molecular FormulaC6H7ClN2O4S2
Molecular Weight270.72 g/mol
Exact Mass269.95
IUPAC Namemethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H7ClN2O4S2/c1-13-4(10)2-9-15(11,12)5-3-8-6(7)14-5/h3,9H,2H2,1H3
InChIKeyYLAJBGGOBQPRDD-UHFFFAOYSA-N
XLogP0.25
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate (CID 43455794) is methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate?
The InChIKey is YLAJBGGOBQPRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O4S2/c1-13-4(10)2-9-15(11,12)5-3-8-6(7)14-5/h3,9H,2H2,1H3.
What are the key properties of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate?
methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate has a molecular weight of 270.72 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate is sourced from PubChem (CID 43455794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).