methyl 2-(5-sulfamoylthiophen-2-yl)acetate

C7H9NO4S2 — CID 60753569

IUPACmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
SMILESCOC(=O)Cc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C7H9NO4S2/c1-12-6(9)4-5-2-3-7(13-5)14(8,10)11/h2-3H,4H2,1H3,(H2,8,10,11)
InChIKeyJYNOJTBMHBICQK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.11
Rot. Bonds3

About methyl 2-(5-sulfamoylthiophen-2-yl)acetate

methyl 2-(5-sulfamoylthiophen-2-yl)acetate (PubChem CID 60753569) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 2-(5-sulfamoylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-sulfamoylthiophen-2-yl)acetate
PubChem CID60753569
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Namemethyl 2-(5-sulfamoylthiophen-2-yl)acetate
SMILESCOC(=O)Cc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C7H9NO4S2/c1-12-6(9)4-5-2-3-7(13-5)14(8,10)11/h2-3H,4H2,1H3,(H2,8,10,11)
InChIKeyJYNOJTBMHBICQK-UHFFFAOYSA-N
XLogP0.11
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
N,N-diethyl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 61068995
N-(1-methoxybutan-2-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64689300
N-(2-methylbutan-2-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 39007502
N-(2,3-dimethylbutyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64723560
N-pentan-2-yl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 47166864
5-(3-oxobutyl)thiophene-2-sulfonamide
CID 22147785
oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 61235023
N-(4,4-dimethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 65382614
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072
2-(5-sulfamoylthiophen-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 65386753
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-sulfamoylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-(5-sulfamoylthiophen-2-yl)acetate (CID 60753569) is methyl 2-(5-sulfamoylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-sulfamoylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(5-sulfamoylthiophen-2-yl)acetate is COC(=O)Cc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of methyl 2-(5-sulfamoylthiophen-2-yl)acetate?
The InChIKey is JYNOJTBMHBICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c1-12-6(9)4-5-2-3-7(13-5)14(8,10)11/h2-3H,4H2,1H3,(H2,8,10,11).
What are the key properties of methyl 2-(5-sulfamoylthiophen-2-yl)acetate?
methyl 2-(5-sulfamoylthiophen-2-yl)acetate has a molecular weight of 235.29 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-sulfamoylthiophen-2-yl)acetate is sourced from PubChem (CID 60753569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).