(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate

C15H12Cl3NO4S — CID 1218599

IUPAC(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1Cl
InChIInChI=1S/C15H12Cl3NO4S/c16-11-5-6-13(18)14(7-11)24(21,22)19-8-15(20)23-9-10-3-1-2-4-12(10)17/h1-7,19H,8-9H2
InChIKeyROOQGBBNLWHUSO-UHFFFAOYSA-N
MW408.69 g/mol
LogP3.67
Rot. Bonds6

About (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate

(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate (PubChem CID 1218599) has the molecular formula C15H12Cl3NO4S and a molecular weight of 408.69 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
PubChem CID1218599
Molecular FormulaC15H12Cl3NO4S
Molecular Weight408.69 g/mol
Exact Mass406.96
IUPAC Name(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1Cl
InChIInChI=1S/C15H12Cl3NO4S/c16-11-5-6-13(18)14(7-11)24(21,22)19-8-15(20)23-9-10-3-1-2-4-12(10)17/h1-7,19H,8-9H2
InChIKeyROOQGBBNLWHUSO-UHFFFAOYSA-N
XLogP3.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
2,5-dichloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126034786
(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147731
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate
CID 79276973
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxyethyl)acetamide
CID 126178977
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
(2-chlorophenyl)methyl 2-(prop-2-ynylamino)acetate
CID 79274047
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
2-amino-2-[[(2,5-dichlorophenyl)sulfonylamino]methyl]-3-oxo-3-phenylmethoxypropanoic acid
CID 174485832

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate (CID 1218599) is (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is ROOQGBBNLWHUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO4S/c16-11-5-6-13(18)14(7-11)24(21,22)19-8-15(20)23-9-10-3-1-2-4-12(10)17/h1-7,19H,8-9H2.
What are the key properties of (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate?
(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 408.69 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 1218599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).