3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

C9H13NO6S2 — CID 62499441

IUPAC3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCCOCCO
InChIInChI=1S/C9H13NO6S2/c11-3-5-16-4-2-10-18(14,15)7-1-6-17-8(7)9(12)13/h1,6,10-11H,2-5H2,(H,12,13)
InChIKeyAGHQEZDGDXOQKR-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.27
Rot. Bonds8

About 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 62499441) has the molecular formula C9H13NO6S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID62499441
Molecular FormulaC9H13NO6S2
Molecular Weight295.34 g/mol
Exact Mass295.02
IUPAC Name3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCCOCCO
InChIInChI=1S/C9H13NO6S2/c11-3-5-16-4-2-10-18(14,15)7-1-6-17-8(7)9(12)13/h1,6,10-11H,2-5H2,(H,12,13)
InChIKeyAGHQEZDGDXOQKR-UHFFFAOYSA-N
XLogP-0.27
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60925499
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114153141
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]-4,5-dimethylbenzoic acid
CID 62498475

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 62499441) is 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AGHQEZDGDXOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6S2/c11-3-5-16-4-2-10-18(14,15)7-1-6-17-8(7)9(12)13/h1,6,10-11H,2-5H2,(H,12,13).
What are the key properties of 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of -0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 62499441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).