methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate

C16H16ClNO6S2 — CID 100551525

IUPACmethyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
SMILESCCOC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H16ClNO6S2/c1-3-24-14(19)10-18(26(21,22)15-5-4-8-25-15)11-6-7-13(17)12(9-11)16(20)23-2/h4-9H,3,10H2,1-2H3
InChIKeyFGLJERSITLPQFC-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.95
Rot. Bonds7

About methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate

methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate (PubChem CID 100551525) has the molecular formula C16H16ClNO6S2 and a molecular weight of 417.89 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
PubChem CID100551525
Molecular FormulaC16H16ClNO6S2
Molecular Weight417.89 g/mol
Exact Mass417.01
IUPAC Namemethyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
SMILESCCOC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H16ClNO6S2/c1-3-24-14(19)10-18(26(21,22)15-5-4-8-25-15)11-6-7-13(17)12(9-11)16(20)23-2/h4-9H,3,10H2,1-2H3
InChIKeyFGLJERSITLPQFC-UHFFFAOYSA-N
XLogP2.95
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100550650
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100548327
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
methyl 2-[1,3-benzodioxol-5-yl(thiophen-2-ylsulfonyl)amino]acetate
CID 100549320
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate (CID 100551525) is methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate is CCOC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
The InChIKey is FGLJERSITLPQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO6S2/c1-3-24-14(19)10-18(26(21,22)15-5-4-8-25-15)11-6-7-13(17)12(9-11)16(20)23-2/h4-9H,3,10H2,1-2H3.
What are the key properties of methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate?
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate has a molecular weight of 417.89 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate is sourced from PubChem (CID 100551525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).