4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C10H14N2O6S — CID 54997976

IUPAC4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCN(CC(=O)OC)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H14N2O6S/c1-3-12(6-9(13)18-2)19(16,17)7-4-8(10(14)15)11-5-7/h4-5,11H,3,6H2,1-2H3,(H,14,15)
InChIKeyIGDVJSIHSWJQII-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.10
Rot. Bonds6

About 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 54997976) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID54997976
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCN(CC(=O)OC)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H14N2O6S/c1-3-12(6-9(13)18-2)19(16,17)7-4-8(10(14)15)11-5-7/h4-5,11H,3,6H2,1-2H3,(H,14,15)
InChIKeyIGDVJSIHSWJQII-UHFFFAOYSA-N
XLogP-0.10
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167885299
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61042051
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786
4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 114277066
4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60952307
4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 115283401
4-[bis(2-cyanoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43311208
methyl 2-[2,3-dihydro-1H-inden-5-ylsulfonyl(ethyl)amino]acetate
CID 61384140
5-(hydrazinecarbonyl)-N,N-dipropyl-1H-pyrrole-3-sulfonamide
CID 16780236

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 54997976) is 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CCN(CC(=O)OC)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is IGDVJSIHSWJQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-3-12(6-9(13)18-2)19(16,17)7-4-8(10(14)15)11-5-7/h4-5,11H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 290.30 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 54997976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).