5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid

C14H15NO5S — CID 81369021

IUPAC5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1cccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H15NO5S/c1-9-4-3-5-11(8-9)10(2)15-21(18,19)13-7-6-12(20-13)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyUQTPDRYCVFXHDV-JTQLQIEISA-N
MW309.34 g/mol
LogP2.33
Rot. Bonds5

About 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid

5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 81369021) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID81369021
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1cccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H15NO5S/c1-9-4-3-5-11(8-9)10(2)15-21(18,19)13-7-6-12(20-13)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyUQTPDRYCVFXHDV-JTQLQIEISA-N
XLogP2.33
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81370759
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81350795
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
CID 62406823
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81369614
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid (CID 81369021) is 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid is Cc1cccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is UQTPDRYCVFXHDV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO5S/c1-9-4-3-5-11(8-9)10(2)15-21(18,19)13-7-6-12(20-13)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid?
5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(3-methylphenyl)ethyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 81369021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).