2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid

C13H19NO5S — CID 63281764

IUPAC2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC2CCCC2C)c1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-7-5-4-6-10(7)14-20(17,18)12-9(3)19-8(2)11(12)13(15)16/h7,10,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyJSMQDCNZJNMDQJ-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.06
Rot. Bonds4

About 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid

2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 63281764) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid
PubChem CID63281764
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC2CCCC2C)c1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-7-5-4-6-10(7)14-20(17,18)12-9(3)19-8(2)11(12)13(15)16/h7,10,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyJSMQDCNZJNMDQJ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43371010
2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid
CID 62093627
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 61482264
5-[(2-methylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 55171280
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-carboxylic acid
CID 79188740
4-[[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-2,5-dimethylfuran-3-carboxylic acid
CID 99603194
4-bromo-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281568
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
2,5-dimethyl-4-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]furan-3-carboxylic acid
CID 60857078
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid (CID 63281764) is 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NC2CCCC2C)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is JSMQDCNZJNMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-7-5-4-6-10(7)14-20(17,18)12-9(3)19-8(2)11(12)13(15)16/h7,10,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid has a molecular weight of 301.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(2-methylcyclopentyl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 63281764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).