(4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide

C13H15F2NO3S — CID 134968155

IUPAC(4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide
SMILESCCC/C=C/[C@@]1(c2cc(F)cc(F)c2)COS(=O)(=O)N1
InChIInChI=1S/C13H15F2NO3S/c1-2-3-4-5-13(9-19-20(17,18)16-13)10-6-11(14)8-12(15)7-10/h4-8,16H,2-3,9H2,1H3/b5-4+/t13-/m0/s1
InChIKeyXHNBVLDFCXBXAU-IHVVCDCBSA-N
MW303.33 g/mol
LogP2.38
Rot. Bonds4

About (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide

(4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide (PubChem CID 134968155) has the molecular formula C13H15F2NO3S and a molecular weight of 303.33 g/mol. Its IUPAC name is (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide
PubChem CID134968155
Molecular FormulaC13H15F2NO3S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name(4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide
SMILESCCC/C=C/[C@@]1(c2cc(F)cc(F)c2)COS(=O)(=O)N1
InChIInChI=1S/C13H15F2NO3S/c1-2-3-4-5-13(9-19-20(17,18)16-13)10-6-11(14)8-12(15)7-10/h4-8,16H,2-3,9H2,1H3/b5-4+/t13-/m0/s1
InChIKeyXHNBVLDFCXBXAU-IHVVCDCBSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide?
The IUPAC name of (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide (CID 134968155) is (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide?
The canonical SMILES for (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide is CCC/C=C/[C@@]1(c2cc(F)cc(F)c2)COS(=O)(=O)N1.
What is the InChIKey of (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide?
The InChIKey is XHNBVLDFCXBXAU-IHVVCDCBSA-N. The full InChI is InChI=1S/C13H15F2NO3S/c1-2-3-4-5-13(9-19-20(17,18)16-13)10-6-11(14)8-12(15)7-10/h4-8,16H,2-3,9H2,1H3/b5-4+/t13-/m0/s1.
What are the key properties of (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide?
(4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide has a molecular weight of 303.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-difluorophenyl)-4-[(E)-pent-1-enyl]oxathiazolidine 2,2-dioxide is sourced from PubChem (CID 134968155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).