N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide

C11H13F2NO2S — CID 99576760

IUPACN-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide
SMILESC[C@H](NS(=O)(=O)C1CC1)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO2S/c1-7(14-17(15,16)8-5-6-8)9-3-2-4-10(12)11(9)13/h2-4,7-8,14H,5-6H2,1H3/t7-/m0/s1
InChIKeyUFMKZEHNLFTVOS-ZETCQYMHSA-N
MW261.29 g/mol
LogP2.11
Rot. Bonds4

About N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide

N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide (PubChem CID 99576760) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide
PubChem CID99576760
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC NameN-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide
SMILESC[C@H](NS(=O)(=O)C1CC1)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO2S/c1-7(14-17(15,16)8-5-6-8)9-3-2-4-10(12)11(9)13/h2-4,7-8,14H,5-6H2,1H3/t7-/m0/s1
InChIKeyUFMKZEHNLFTVOS-ZETCQYMHSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide (CID 99576760) is N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide is C[C@H](NS(=O)(=O)C1CC1)c1cccc(F)c1F.
What is the InChIKey of N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide?
The InChIKey is UFMKZEHNLFTVOS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-7(14-17(15,16)8-5-6-8)9-3-2-4-10(12)11(9)13/h2-4,7-8,14H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide?
N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide has a molecular weight of 261.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-difluorophenyl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 99576760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).