5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid

C12H17NO5S — CID 43149844

IUPAC5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5S/c1-13(9-5-3-2-4-6-9)19(16,17)11-8-7-10(18-11)12(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyAJEBGENXSZEFON-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.93
Rot. Bonds4

About 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid

5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43149844) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43149844
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5S/c1-13(9-5-3-2-4-6-9)19(16,17)11-8-7-10(18-11)12(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyAJEBGENXSZEFON-UHFFFAOYSA-N
XLogP1.93
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]furan-2-carboxylate
CID 29077373
5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid
CID 60951974
N-cyclohexyl-N-methyl-5-sulfamoylfuran-2-carboxamide
CID 47323040
5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62803816
(3S)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113532
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 63236452
5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 104656520
5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
CID 62406823
5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 63207582
N-cyclooctyl-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
CID 71934799
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid (CID 43149844) is 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is AJEBGENXSZEFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-13(9-5-3-2-4-6-9)19(16,17)11-8-7-10(18-11)12(14)15/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid?
5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43149844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).