3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid

C16H16FNO4S2 — CID 25183657

IUPAC3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1ccc(F)cc1C1CCCC1
InChIInChI=1S/C16H16FNO4S2/c17-11-5-6-14(12(9-11)10-3-1-2-4-10)24(21,22)18-13-7-8-23-15(13)16(19)20/h5-10,18H,1-4H2,(H,19,20)
InChIKeyZAIQLEVNGYZKKM-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.04
Rot. Bonds5

About 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid

3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 25183657) has the molecular formula C16H16FNO4S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID25183657
Molecular FormulaC16H16FNO4S2
Molecular Weight369.44 g/mol
Exact Mass369.05
IUPAC Name3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1ccc(F)cc1C1CCCC1
InChIInChI=1S/C16H16FNO4S2/c17-11-5-6-14(12(9-11)10-3-1-2-4-10)24(21,22)18-13-7-8-23-15(13)16(19)20/h5-10,18H,1-4H2,(H,19,20)
InChIKeyZAIQLEVNGYZKKM-UHFFFAOYSA-N
XLogP4.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 25183657) is 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid is O=C(O)c1sccc1NS(=O)(=O)c1ccc(F)cc1C1CCCC1.
What is the InChIKey of 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is ZAIQLEVNGYZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S2/c17-11-5-6-14(12(9-11)10-3-1-2-4-10)24(21,22)18-13-7-8-23-15(13)16(19)20/h5-10,18H,1-4H2,(H,19,20).
What are the key properties of 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 369.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyl-4-fluorophenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 25183657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).