tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate

C17H26ClNO5S — CID 3859893

IUPACtert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H26ClNO5S/c1-16(2,3)19(11-15(20)24-17(4,5)6)25(21,22)14-10-12(18)8-9-13(14)23-7/h8-10H,11H2,1-7H3
InChIKeyGFFPHQIUWNZRIO-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.48
Rot. Bonds5

About tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate

tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate (PubChem CID 3859893) has the molecular formula C17H26ClNO5S and a molecular weight of 391.92 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
PubChem CID3859893
Molecular FormulaC17H26ClNO5S
Molecular Weight391.92 g/mol
Exact Mass391.12
IUPAC Nametert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H26ClNO5S/c1-16(2,3)19(11-15(20)24-17(4,5)6)25(21,22)14-10-12(18)8-9-13(14)23-7/h8-10H,11H2,1-7H3
InChIKeyGFFPHQIUWNZRIO-UHFFFAOYSA-N
XLogP3.48
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The IUPAC name of tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate (CID 3859893) is tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate is COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The InChIKey is GFFPHQIUWNZRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO5S/c1-16(2,3)19(11-15(20)24-17(4,5)6)25(21,22)14-10-12(18)8-9-13(14)23-7/h8-10H,11H2,1-7H3.
What are the key properties of tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate has a molecular weight of 391.92 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl-(5-chloro-2-methoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3859893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).