3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid

C12H17NO4S2 — CID 17221131

IUPAC3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C12H17NO4S2/c14-12(15)11-10(7-8-18-11)19(16,17)13-9-5-3-1-2-4-6-9/h7-9,13H,1-6H2,(H,14,15)
InChIKeyJYEKTNPDJCEWJR-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.45
Rot. Bonds4

About 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid

3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 17221131) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID17221131
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C12H17NO4S2/c14-12(15)11-10(7-8-18-11)19(16,17)13-9-5-3-1-2-4-6-9/h7-9,13H,1-6H2,(H,14,15)
InChIKeyJYEKTNPDJCEWJR-UHFFFAOYSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylsulfamoyl)thiophene-2-carboxylic acid
CID 16227156
3-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 16227157
3-{[2-(2-Hydroxyethyl)piperidin-1-yl]sulfonyl}thiophene-2-carboxylic acid
CID 43329029
5-(2-Methanesulfonamidoethyl)thiophene-2-carboxylic acid
CID 16227026
3-(Methylsulfamoyl)thiophene-2-carboxylic acid
CID 16639914
4-[(Tert-butylamino)sulfonyl]-2-thiophenecarboxylic acid
CID 42562023
3-{[(1r)-1-Carboxyethyl]sulfamoyl}thiophene-2-carboxylic acid
CID 129883542
3-{[(1s)-1-Carboxyethyl]sulfamoyl}thiophene-2-carboxylic acid
CID 129883554
3-(2,2,2-Trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 43164789
3-(3,3,3-Trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 55175526
5-(3,3,3-Trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 55175722
4-(3,3,3-Trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid (CID 17221131) is 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is JYEKTNPDJCEWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c14-12(15)11-10(7-8-18-11)19(16,17)13-9-5-3-1-2-4-6-9/h7-9,13H,1-6H2,(H,14,15).
What are the key properties of 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid?
3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 17221131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).