4-(cyclohexylcarbamoyl)furan-2-sulfonic acid

C11H15NO5S — CID 19603924

IUPAC4-(cyclohexylcarbamoyl)furan-2-sulfonic acid
SMILESO=C(NC1CCCCC1)c1coc(S(=O)(=O)O)c1
InChIInChI=1S/C11H15NO5S/c13-11(12-9-4-2-1-3-5-9)8-6-10(17-7-8)18(14,15)16/h6-7,9H,1-5H2,(H,12,13)(H,14,15,16)
InChIKeyLNCOAEYUJQHCNB-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.59
Rot. Bonds3

About 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid

4-(cyclohexylcarbamoyl)furan-2-sulfonic acid (PubChem CID 19603924) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid.

Molecular Properties

Compound Name4-(cyclohexylcarbamoyl)furan-2-sulfonic acid
PubChem CID19603924
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name4-(cyclohexylcarbamoyl)furan-2-sulfonic acid
SMILESO=C(NC1CCCCC1)c1coc(S(=O)(=O)O)c1
InChIInChI=1S/C11H15NO5S/c13-11(12-9-4-2-1-3-5-9)8-6-10(17-7-8)18(14,15)16/h6-7,9H,1-5H2,(H,12,13)(H,14,15,16)
InChIKeyLNCOAEYUJQHCNB-UHFFFAOYSA-N
XLogP1.59
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-methylfuran-3-carboxamide
CID 114821678
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
N-cyclohexyl-5-imidazo[1,2-a]pyrazin-3-ylfuran-3-carboxamide
CID 146637619
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
N-cyclohexylpyridine-4-carboxamide
CID 3436730
4-bromo-N-cycloheptylbenzamide
CID 2843132
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid?
The IUPAC name of 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid (CID 19603924) is 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid.
What is the SMILES notation for 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid?
The canonical SMILES for 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid is O=C(NC1CCCCC1)c1coc(S(=O)(=O)O)c1.
What is the InChIKey of 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid?
The InChIKey is LNCOAEYUJQHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c13-11(12-9-4-2-1-3-5-9)8-6-10(17-7-8)18(14,15)16/h6-7,9H,1-5H2,(H,12,13)(H,14,15,16).
What are the key properties of 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid?
4-(cyclohexylcarbamoyl)furan-2-sulfonic acid has a molecular weight of 273.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoyl)furan-2-sulfonic acid is sourced from PubChem (CID 19603924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).