4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid

C10H15NO5S2 — CID 63617805

IUPAC4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CCO)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H15NO5S2/c1-2-3-11(4-5-12)18(15,16)8-6-9(10(13)14)17-7-8/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyFRELUFDIYGQWKW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.84
Rot. Bonds7

About 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid

4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63617805) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63617805
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CCO)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H15NO5S2/c1-2-3-11(4-5-12)18(15,16)8-6-9(10(13)14)17-7-8/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyFRELUFDIYGQWKW-UHFFFAOYSA-N
XLogP0.84
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
4-[ethyl(2-methylprop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55150197
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618317
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
4-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61074403
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62050227
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203
4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068102

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63617805) is 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid is CCCN(CCO)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is FRELUFDIYGQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-2-3-11(4-5-12)18(15,16)8-6-9(10(13)14)17-7-8/h6-7,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63617805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).