methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate

C14H14ClNO5S2 — CID 100549387

IUPACmethyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClNO5S2/c1-20-12-6-5-10(15)8-11(12)16(9-13(17)21-2)23(18,19)14-4-3-7-22-14/h3-8H,9H2,1-2H3
InChIKeyZLYPDUDQTZNPOT-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.78
Rot. Bonds6

About methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate

methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate (PubChem CID 100549387) has the molecular formula C14H14ClNO5S2 and a molecular weight of 375.86 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
PubChem CID100549387
Molecular FormulaC14H14ClNO5S2
Molecular Weight375.86 g/mol
Exact Mass375.00
IUPAC Namemethyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClNO5S2/c1-20-12-6-5-10(15)8-11(12)16(9-13(17)21-2)23(18,19)14-4-3-7-22-14/h3-8H,9H2,1-2H3
InChIKeyZLYPDUDQTZNPOT-UHFFFAOYSA-N
XLogP2.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3,4-dimethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548774
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100548327
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560681
methyl 2-(2-phenyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551629
ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
CID 50895054
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The IUPAC name of methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate (CID 100549387) is methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The canonical SMILES for methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate is COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate?
The InChIKey is ZLYPDUDQTZNPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5S2/c1-20-12-6-5-10(15)8-11(12)16(9-13(17)21-2)23(18,19)14-4-3-7-22-14/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate?
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate has a molecular weight of 375.86 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100549387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).