5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid

C9H13NO5S — CID 22246769

IUPAC5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)NCCCc1ccc(C(=O)O)o1
InChIInChI=1S/C9H13NO5S/c1-16(13,14)10-6-2-3-7-4-5-8(15-7)9(11)12/h4-5,10H,2-3,6H2,1H3,(H,11,12)
InChIKeyITBYDKIRJADUFF-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.46
Rot. Bonds6

About 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid

5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid (PubChem CID 22246769) has the molecular formula C9H13NO5S and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid
PubChem CID22246769
Molecular FormulaC9H13NO5S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid
SMILESCS(=O)(=O)NCCCc1ccc(C(=O)O)o1
InChIInChI=1S/C9H13NO5S/c1-16(13,14)10-6-2-3-7-4-5-8(15-7)9(11)12/h4-5,10H,2-3,6H2,1H3,(H,11,12)
InChIKeyITBYDKIRJADUFF-UHFFFAOYSA-N
XLogP0.46
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
5-[(methylsulfonylmethylsulfonylamino)methyl]furan-2-carboxylic acid
CID 82839821
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119245685
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid (CID 22246769) is 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid is CS(=O)(=O)NCCCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid?
The InChIKey is ITBYDKIRJADUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S/c1-16(13,14)10-6-2-3-7-4-5-8(15-7)9(11)12/h4-5,10H,2-3,6H2,1H3,(H,11,12).
What are the key properties of 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid?
5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methanesulfonamido)propyl]furan-2-carboxylic acid is sourced from PubChem (CID 22246769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).