methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate

C7H9ClN2O4S2 — CID 43456083

IUPACmethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C7H9ClN2O4S2/c1-4-6(15-7(8)10-4)16(12,13)9-3-5(11)14-2/h9H,3H2,1-2H3
InChIKeyJDGBFQNCLNCVMC-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.56
Rot. Bonds4

About methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate

methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate (PubChem CID 43456083) has the molecular formula C7H9ClN2O4S2 and a molecular weight of 284.75 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate
PubChem CID43456083
Molecular FormulaC7H9ClN2O4S2
Molecular Weight284.75 g/mol
Exact Mass283.97
IUPAC Namemethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C7H9ClN2O4S2/c1-4-6(15-7(8)10-4)16(12,13)9-3-5(11)14-2/h9H,3H2,1-2H3
InChIKeyJDGBFQNCLNCVMC-UHFFFAOYSA-N
XLogP0.56
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.56
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-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate (CID 43456083) is methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate?
The InChIKey is JDGBFQNCLNCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O4S2/c1-4-6(15-7(8)10-4)16(12,13)9-3-5(11)14-2/h9H,3H2,1-2H3.
What are the key properties of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate?
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate has a molecular weight of 284.75 g/mol, XLogP of 0.56, 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-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate is sourced from PubChem (CID 43456083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).