5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid

C8H11NO6S — CID 107216107

IUPAC5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H11NO6S/c1-5(10)4-9-16(13,14)7-3-2-6(15-7)8(11)12/h2-3,5,9-10H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyOFDMUKJUZZCXGJ-YFKPBYRVSA-N
MW249.24 g/mol
LogP-0.36
Rot. Bonds5

About 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid

5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 107216107) has the molecular formula C8H11NO6S and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID107216107
Molecular FormulaC8H11NO6S
Molecular Weight249.24 g/mol
Exact Mass249.03
IUPAC Name5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@H](O)CNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H11NO6S/c1-5(10)4-9-16(13,14)7-3-2-6(15-7)8(11)12/h2-3,5,9-10H,4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyOFDMUKJUZZCXGJ-YFKPBYRVSA-N
XLogP-0.36
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid
CID 62989592
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid (CID 107216107) is 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid is C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is OFDMUKJUZZCXGJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11NO6S/c1-5(10)4-9-16(13,14)7-3-2-6(15-7)8(11)12/h2-3,5,9-10H,4H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 107216107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).