5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid

C14H19NO5S — CID 43149868

IUPAC5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CC2CCC1C2
InChIInChI=1S/C14H19NO5S/c1-8(11-7-9-2-3-10(11)6-9)15-21(18,19)13-5-4-12(20-13)14(16)17/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyHOWVYRYQMCCPTI-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.08
Rot. Bonds5

About 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid

5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 43149868) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID43149868
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CC2CCC1C2
InChIInChI=1S/C14H19NO5S/c1-8(11-7-9-2-3-10(11)6-9)15-21(18,19)13-5-4-12(20-13)14(16)17/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyHOWVYRYQMCCPTI-UHFFFAOYSA-N
XLogP2.08
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61072770
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
4-[[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 129376889
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
CID 1292970
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 129376398
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide
CID 43255512
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid (CID 43149868) is 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid is CC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CC2CCC1C2.
What is the InChIKey of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is HOWVYRYQMCCPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-8(11-7-9-2-3-10(11)6-9)15-21(18,19)13-5-4-12(20-13)14(16)17/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid?
5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43149868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).