(2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid

C11H11ClFNO4S — CID 154539210

IUPAC(2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1CF
InChIInChI=1S/C11H11ClFNO4S/c12-8-1-3-9(4-2-8)19(17,18)14-11(10(15)16)5-7(11)6-13/h1-4,7,14H,5-6H2,(H,15,16)/t7-,11?/m1/s1
InChIKeyCCHRZCZFTJIMBM-DKSCNQEISA-N
MW307.73 g/mol
LogP1.43
Rot. Bonds5

About (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid

(2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 154539210) has the molecular formula C11H11ClFNO4S and a molecular weight of 307.73 g/mol. Its IUPAC name is (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID154539210
Molecular FormulaC11H11ClFNO4S
Molecular Weight307.73 g/mol
Exact Mass307.01
IUPAC Name(2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1CF
InChIInChI=1S/C11H11ClFNO4S/c12-8-1-3-9(4-2-8)19(17,18)14-11(10(15)16)5-7(11)6-13/h1-4,7,14H,5-6H2,(H,15,16)/t7-,11?/m1/s1
InChIKeyCCHRZCZFTJIMBM-DKSCNQEISA-N
XLogP1.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid (CID 154539210) is (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1CF.
What is the InChIKey of (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is CCHRZCZFTJIMBM-DKSCNQEISA-N. The full InChI is InChI=1S/C11H11ClFNO4S/c12-8-1-3-9(4-2-8)19(17,18)14-11(10(15)16)5-7(11)6-13/h1-4,7,14H,5-6H2,(H,15,16)/t7-,11?/m1/s1.
What are the key properties of (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
(2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154539210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).