5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide

C13H19NO5S — CID 103968565

IUPAC5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)o1
InChIInChI=1S/C13H19NO5S/c15-8-11-4-5-12(19-11)20(17,18)14-9-13(10-16)6-2-1-3-7-13/h4-5,8,14,16H,1-3,6-7,9-10H2
InChIKeyLVFQSJNSUNCYQY-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.31
Rot. Bonds6

About 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide

5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide (PubChem CID 103968565) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide
PubChem CID103968565
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)o1
InChIInChI=1S/C13H19NO5S/c15-8-11-4-5-12(19-11)20(17,18)14-9-13(10-16)6-2-1-3-7-13/h4-5,8,14,16H,1-3,6-7,9-10H2
InChIKeyLVFQSJNSUNCYQY-UHFFFAOYSA-N
XLogP1.31
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
CID 114109779
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259
5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide
CID 114120943
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 103965509
5-formyl-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 114148606

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide?
The IUPAC name of 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide (CID 103968565) is 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide is O=Cc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)o1.
What is the InChIKey of 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide?
The InChIKey is LVFQSJNSUNCYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c15-8-11-4-5-12(19-11)20(17,18)14-9-13(10-16)6-2-1-3-7-13/h4-5,8,14,16H,1-3,6-7,9-10H2.
What are the key properties of 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide?
5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide has a molecular weight of 301.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide is sourced from PubChem (CID 103968565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).