trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile

C10H8FNO2S — CID 134860820

IUPACtrans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile
SMILESN#C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1F
InChIInChI=1S/C10H8FNO2S/c11-9-6-10(9,7-12)15(13,14)8-4-2-1-3-5-8/h1-5,9H,6H2/t9-,10+/m0/s1
InChIKeyMSNPRWXBOUWRHU-VHSXEESVSA-N
MW225.24 g/mol
LogP1.46
Rot. Bonds2

About trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile

trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile (PubChem CID 134860820) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile
PubChem CID134860820
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Nametrans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile
SMILESN#C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1F
InChIInChI=1S/C10H8FNO2S/c11-9-6-10(9,7-12)15(13,14)8-4-2-1-3-5-8/h1-5,9H,6H2/t9-,10+/m0/s1
InChIKeyMSNPRWXBOUWRHU-VHSXEESVSA-N
XLogP1.46
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile (CID 134860820) is trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile is N#C[C@]1(S(=O)(=O)c2ccccc2)C[C@@H]1F.
What is the InChIKey of trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile?
The InChIKey is MSNPRWXBOUWRHU-VHSXEESVSA-N. The full InChI is InChI=1S/C10H8FNO2S/c11-9-6-10(9,7-12)15(13,14)8-4-2-1-3-5-8/h1-5,9H,6H2/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile?
trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile has a molecular weight of 225.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(benzenesulfonyl)-2-fluorocyclopropane-1-carbonitrile is sourced from PubChem (CID 134860820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).