5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid

C13H19NO4S2 — CID 61026859

IUPAC5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C13H19NO4S2/c15-13(16)11-8-9-12(19-11)20(17,18)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2,(H,15,16)
InChIKeyXZJAODZQLXYODJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.84
Rot. Bonds4

About 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid

5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61026859) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61026859
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C13H19NO4S2/c15-13(16)11-8-9-12(19-11)20(17,18)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2,(H,15,16)
InChIKeyXZJAODZQLXYODJ-UHFFFAOYSA-N
XLogP2.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63662251
5-[(2-methylcyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63281765
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823724
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 103965509
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341371
5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62976488

Frequently Asked Questions

What is the IUPAC name of 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid (CID 61026859) is 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NC2CCCCCCC2)s1.
What is the InChIKey of 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is XZJAODZQLXYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c15-13(16)11-8-9-12(19-11)20(17,18)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2,(H,15,16).
What are the key properties of 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid?
5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61026859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).