N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide

C14H17FN2O3S — CID 132529233

IUPACN-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@H]1c1c(F)cccc1C#N
InChIInChI=1S/C14H17FN2O3S/c1-9(2)21(18,19)17-13-8-20-7-11(13)14-10(6-16)4-3-5-12(14)15/h3-5,9,11,13,17H,7-8H2,1-2H3/t11-,13-/m1/s1
InChIKeyVOURQXZUYQOFRH-DGCLKSJQSA-N
MW312.37 g/mol
LogP1.51
Rot. Bonds4

About N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide

N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide (PubChem CID 132529233) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide
PubChem CID132529233
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC NameN-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@H]1c1c(F)cccc1C#N
InChIInChI=1S/C14H17FN2O3S/c1-9(2)21(18,19)17-13-8-20-7-11(13)14-10(6-16)4-3-5-12(14)15/h3-5,9,11,13,17H,7-8H2,1-2H3/t11-,13-/m1/s1
InChIKeyVOURQXZUYQOFRH-DGCLKSJQSA-N
XLogP1.51
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide (CID 132529233) is N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1COC[C@H]1c1c(F)cccc1C#N.
What is the InChIKey of N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is VOURQXZUYQOFRH-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-9(2)21(18,19)17-13-8-20-7-11(13)14-10(6-16)4-3-5-12(14)15/h3-5,9,11,13,17H,7-8H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide?
N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(2-cyano-6-fluorophenyl)oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 132529233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).