1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid

C18H18FNO4S — CID 18365428

IUPAC1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1
InChIInChI=1S/C18H18FNO4S/c19-15-7-3-13(4-8-15)14-5-9-16(10-6-14)25(23,24)20-18(17(21)22)11-1-2-12-18/h3-10,20H,1-2,11-12H2,(H,21,22)
InChIKeyGLTTVCJMEXJZAJ-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.17
Rot. Bonds5

About 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid

1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 18365428) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID18365428
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1
InChIInChI=1S/C18H18FNO4S/c19-15-7-3-13(4-8-15)14-5-9-16(10-6-14)25(23,24)20-18(17(21)22)11-1-2-12-18/h3-10,20H,1-2,11-12H2,(H,21,22)
InChIKeyGLTTVCJMEXJZAJ-UHFFFAOYSA-N
XLogP3.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid (CID 18365428) is 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is GLTTVCJMEXJZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-15-7-3-13(4-8-15)14-5-9-16(10-6-14)25(23,24)20-18(17(21)22)11-1-2-12-18/h3-10,20H,1-2,11-12H2,(H,21,22).
What are the key properties of 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid?
1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 18365428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).