2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid

C14H16ClNO4S — CID 43361670

IUPAC2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid
SMILESCC(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C14H16ClNO4S/c1-14(13(17)18,11-4-5-11)16-21(19,20)9-8-10-2-6-12(15)7-3-10/h2-3,6-9,11,16H,4-5H2,1H3,(H,17,18)/b9-8+
InChIKeyMBQJJRUAHKFQKP-CMDGGOBGSA-N
MW329.81 g/mol
LogP2.48
Rot. Bonds6

About 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid

2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid (PubChem CID 43361670) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid
PubChem CID43361670
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid
SMILESCC(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C14H16ClNO4S/c1-14(13(17)18,11-4-5-11)16-21(19,20)9-8-10-2-6-12(15)7-3-10/h2-3,6-9,11,16H,4-5H2,1H3,(H,17,18)/b9-8+
InChIKeyMBQJJRUAHKFQKP-CMDGGOBGSA-N
XLogP2.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Chlorophenyl)methylsulfonylamino]-3-fluoro-2-(fluoromethyl)propanoic acid
CID 17979140
2-Cyclopropyl-2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361633
4-[(3-Chloro-4-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 120083743
(2S)-2-[(5-chloro-2-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 120084453
(2S)-2-[(3-chloro-4-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 120084509
(2R)-2-[(3-chloro-4-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 120085033
(2S,3S)-2-[(3-chloro-4-fluorophenyl)methylsulfonylamino]-3-methylpentanoic acid
CID 120086615
2-[(5-Chloro-2-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 120086763
2-[(3-Chloro-4-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 120086805
2-[(2-Chloro-6-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 121977273
(2S,3S)-2-[(2-chloro-6-fluorophenyl)methylsulfonylamino]-3-methylpentanoic acid
CID 121977494
(2S)-2-[(2-chloro-6-fluorophenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 121977566

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid (CID 43361670) is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid is CC(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid?
The InChIKey is MBQJJRUAHKFQKP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16ClNO4S/c1-14(13(17)18,11-4-5-11)16-21(19,20)9-8-10-2-6-12(15)7-3-10/h2-3,6-9,11,16H,4-5H2,1H3,(H,17,18)/b9-8+.
What are the key properties of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid?
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid has a molecular weight of 329.81 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 43361670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).