1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

C12H14N2O5S — CID 43644210

IUPAC1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)O
InChIInChI=1S/C12H14N2O5S/c1-2-14-8-10(6-11(14)12(15)16)20(17,18)13-7-9-4-3-5-19-9/h3-6,8,13H,2,7H2,1H3,(H,15,16)
InChIKeyRLCHANNUESFEQD-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.28
Rot. Bonds6

About 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 43644210) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID43644210
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)O
InChIInChI=1S/C12H14N2O5S/c1-2-14-8-10(6-11(14)12(15)16)20(17,18)13-7-9-4-3-5-19-9/h3-6,8,13H,2,7H2,1H3,(H,15,16)
InChIKeyRLCHANNUESFEQD-UHFFFAOYSA-N
XLogP1.28
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 106415227
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61284111
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503
N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide
CID 38719587
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (CID 43644210) is 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is RLCHANNUESFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-2-14-8-10(6-11(14)12(15)16)20(17,18)13-7-9-4-3-5-19-9/h3-6,8,13H,2,7H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).