methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

C16H14N2O6S4 — CID 2369016

IUPACmethyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H14N2O6S4/c1-24-16(19)11-8-12(17-27(20,21)14-4-2-6-25-14)10-13(9-11)18-28(22,23)15-5-3-7-26-15/h2-10,17-18H,1H3
InChIKeyIZXQRYJPLSHAIW-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.20
Rot. Bonds7

About methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 2369016) has the molecular formula C16H14N2O6S4 and a molecular weight of 458.56 g/mol. Its IUPAC name is methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
PubChem CID2369016
Molecular FormulaC16H14N2O6S4
Molecular Weight458.56 g/mol
Exact Mass457.97
IUPAC Namemethyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H14N2O6S4/c1-24-16(19)11-8-12(17-27(20,21)14-4-2-6-25-14)10-13(9-11)18-28(22,23)15-5-3-7-26-15/h2-10,17-18H,1H3
InChIKeyIZXQRYJPLSHAIW-UHFFFAOYSA-N
XLogP3.20
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate (CID 2369016) is methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate is COC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is IZXQRYJPLSHAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S4/c1-24-16(19)11-8-12(17-27(20,21)14-4-2-6-25-14)10-13(9-11)18-28(22,23)15-5-3-7-26-15/h2-10,17-18H,1H3.
What are the key properties of methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate?
methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 458.56 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 2369016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).