2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid

C19H17NO4S — CID 118902144

IUPAC2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid
SMILESN#Cc1ccc(-c2ccccc2S(=O)(=O)CC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C19H17NO4S/c20-12-14-5-7-15(8-6-14)16-3-1-2-4-17(16)25(23,24)13-19(9-10-19)11-18(21)22/h1-8H,9-11,13H2,(H,21,22)
InChIKeyRKLPRFOCZOFJBN-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.25
Rot. Bonds6

About 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid

2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 118902144) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID118902144
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid
SMILESN#Cc1ccc(-c2ccccc2S(=O)(=O)CC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C19H17NO4S/c20-12-14-5-7-15(8-6-14)16-3-1-2-4-17(16)25(23,24)13-19(9-10-19)11-18(21)22/h1-8H,9-11,13H2,(H,21,22)
InChIKeyRKLPRFOCZOFJBN-UHFFFAOYSA-N
XLogP3.25
TPSA95.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid (CID 118902144) is 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid is N#Cc1ccc(-c2ccccc2S(=O)(=O)CC2(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is RKLPRFOCZOFJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c20-12-14-5-7-15(8-6-14)16-3-1-2-4-17(16)25(23,24)13-19(9-10-19)11-18(21)22/h1-8H,9-11,13H2,(H,21,22).
What are the key properties of 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 355.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-cyanophenyl)phenyl]sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 118902144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).