ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate

C9H13NO4S2 — CID 18434656

IUPACethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
SMILESCCOC(=O)c1scc(CC)c1S(N)(=O)=O
InChIInChI=1S/C9H13NO4S2/c1-3-6-5-15-7(9(11)14-4-2)8(6)16(10,12)13/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeySSEOPWIQUVIXOT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds4

About ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate

ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate (PubChem CID 18434656) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
PubChem CID18434656
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Nameethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
SMILESCCOC(=O)c1scc(CC)c1S(N)(=O)=O
InChIInChI=1S/C9H13NO4S2/c1-3-6-5-15-7(9(11)14-4-2)8(6)16(10,12)13/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeySSEOPWIQUVIXOT-UHFFFAOYSA-N
XLogP1.13
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
CID 18434703
ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574
ethyl 3-iodo-4-methylthiophene-2-carboxylate
CID 131132175
ethyl 3-methoxy-4-methylthiophene-2-carboxylate
CID 70658420
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663926
ethyl 2,4,6-trimethyl-3-sulfamoylbenzoate
CID 63839844
ethyl 3-methyl-4-nitrothiophene-2-carboxylate
CID 126513012
ethyl 3-bromo-2-sulfamoylbenzoate
CID 18434647
ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 42584805
propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
CID 18434630
ethyl 3-[(4-ethoxyphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 50791867

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate (CID 18434656) is ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate is CCOC(=O)c1scc(CC)c1S(N)(=O)=O.
What is the InChIKey of ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate?
The InChIKey is SSEOPWIQUVIXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-3-6-5-15-7(9(11)14-4-2)8(6)16(10,12)13/h5H,3-4H2,1-2H3,(H2,10,12,13).
What are the key properties of ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate?
ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate is sourced from PubChem (CID 18434656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).