5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid

C13H19NO5S — CID 64733660

IUPAC5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1CC(C)CC(NS(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C13H19NO5S/c1-8-5-9(2)7-10(6-8)14-20(17,18)12-4-3-11(19-12)13(15)16/h3-4,8-10,14H,5-7H2,1-2H3,(H,15,16)
InChIKeyOQYZDBWSDMYGAQ-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.08
Rot. Bonds4

About 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid

5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 64733660) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID64733660
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1CC(C)CC(NS(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C13H19NO5S/c1-8-5-9(2)7-10(6-8)14-20(17,18)12-4-3-11(19-12)13(15)16/h3-4,8-10,14H,5-7H2,1-2H3,(H,15,16)
InChIKeyOQYZDBWSDMYGAQ-UHFFFAOYSA-N
XLogP2.08
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid
CID 114118892
5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 43715406
5-[(2-methylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 55171280
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
CID 62406823
5-(morpholin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 83004785
5-(cyclopropylsulfamoyl)-N-[(2R)-3-methylbutan-2-yl]furan-2-carboxamide
CID 51726077
potassium 5-carboxyfuran-2-sulfonate
CID 90486300
5-(cyclopropylsulfamoyl)-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39878014
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid (CID 64733660) is 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid is CC1CC(C)CC(NS(=O)(=O)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is OQYZDBWSDMYGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-8-5-9(2)7-10(6-8)14-20(17,18)12-4-3-11(19-12)13(15)16/h3-4,8-10,14H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 301.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 64733660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).