3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid

C10H15NO5S2 — CID 107316565

IUPAC3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCCCCCO
InChIInChI=1S/C10H15NO5S2/c12-6-3-1-2-5-11-18(15,16)8-4-7-17-9(8)10(13)14/h4,7,11-12H,1-3,5-6H2,(H,13,14)
InChIKeyQNQMHPOCDUFIQU-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.89
Rot. Bonds8

About 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid

3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 107316565) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID107316565
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCCCCCO
InChIInChI=1S/C10H15NO5S2/c12-6-3-1-2-5-11-18(15,16)8-4-7-17-9(8)10(13)14/h4,7,11-12H,1-3,5-6H2,(H,13,14)
InChIKeyQNQMHPOCDUFIQU-UHFFFAOYSA-N
XLogP0.89
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62499441
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60925499
3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114153141
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-[3-(1-methyl-1,2,4-triazol-3-yl)propylsulfamoyl]thiophene-2-carboxylic acid
CID 139014035
methyl 3-(hexylsulfamoyl)thiophene-2-carboxylate;molecular hydrogen;propane
CID 142506326

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid (CID 107316565) is 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCCCCCO.
What is the InChIKey of 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is QNQMHPOCDUFIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c12-6-3-1-2-5-11-18(15,16)8-4-7-17-9(8)10(13)14/h4,7,11-12H,1-3,5-6H2,(H,13,14).
What are the key properties of 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid?
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 107316565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).