(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

C18H14Cl2N2O4S2 — CID 2421412

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O4S2/c19-14-7-4-8-15(20)17(14)28(24,25)21-9-16(23)26-10-13-11-27-18(22-13)12-5-2-1-3-6-12/h1-8,11,21H,9-10H2
InChIKeyMMFOERPBXZTJBQ-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.14
Rot. Bonds7

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (PubChem CID 2421412) has the molecular formula C18H14Cl2N2O4S2 and a molecular weight of 457.36 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
PubChem CID2421412
Molecular FormulaC18H14Cl2N2O4S2
Molecular Weight457.36 g/mol
Exact Mass455.98
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O4S2/c19-14-7-4-8-15(20)17(14)28(24,25)21-9-16(23)26-10-13-11-27-18(22-13)12-5-2-1-3-6-12/h1-8,11,21H,9-10H2
InChIKeyMMFOERPBXZTJBQ-UHFFFAOYSA-N
XLogP4.14
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (CID 2421412) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is MMFOERPBXZTJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4S2/c19-14-7-4-8-15(20)17(14)28(24,25)21-9-16(23)26-10-13-11-27-18(22-13)12-5-2-1-3-6-12/h1-8,11,21H,9-10H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 457.36 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2421412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).