5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid

C8H11NO6S2 — CID 66171444

IUPAC5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC(O)CO)s1
InChIInChI=1S/C8H11NO6S2/c10-4-5(11)3-9-17(14,15)7-2-1-6(16-7)8(12)13/h1-2,5,9-11H,3-4H2,(H,12,13)
InChIKeyQKZCSPSVWARKSY-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.92
Rot. Bonds6

About 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid

5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 66171444) has the molecular formula C8H11NO6S2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID66171444
Molecular FormulaC8H11NO6S2
Molecular Weight281.31 g/mol
Exact Mass281.00
IUPAC Name5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC(O)CO)s1
InChIInChI=1S/C8H11NO6S2/c10-4-5(11)3-9-17(14,15)7-2-1-6(16-7)8(12)13/h1-2,5,9-11H,3-4H2,(H,12,13)
InChIKeyQKZCSPSVWARKSY-UHFFFAOYSA-N
XLogP-0.92
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid (CID 66171444) is 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC(O)CO)s1.
What is the InChIKey of 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is QKZCSPSVWARKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6S2/c10-4-5(11)3-9-17(14,15)7-2-1-6(16-7)8(12)13/h1-2,5,9-11H,3-4H2,(H,12,13).
What are the key properties of 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid?
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of -0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 66171444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).