1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

C16H14FNO4S — CID 84563175

IUPAC1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C16H14FNO4S/c17-12-6-8-13(9-7-12)23(21,22)18-16(15(19)20)10-14(16)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,19,20)
InChIKeyYCGYXQNEKPTGPQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.11
Rot. Bonds5

About 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 84563175) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID84563175
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C16H14FNO4S/c17-12-6-8-13(9-7-12)23(21,22)18-16(15(19)20)10-14(16)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,19,20)
InChIKeyYCGYXQNEKPTGPQ-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 84563175) is 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is YCGYXQNEKPTGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c17-12-6-8-13(9-7-12)23(21,22)18-16(15(19)20)10-14(16)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,19,20).
What are the key properties of 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 84563175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).