(2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide

C15H22FNO3S — CID 129446442

IUPAC(2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide
SMILESCc1cc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)cc(C)c1F
InChIInChI=1S/C15H22FNO3S/c1-9-7-13(8-10(2)15(9)16)11(3)17-21(18,19)14-5-6-20-12(14)4/h7-8,11-12,14,17H,5-6H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeyWRMORAPMXSSEFY-OBJOEFQTSA-N
MW315.41 g/mol
LogP2.60
Rot. Bonds4

About (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide

(2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide (PubChem CID 129446442) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide.

Molecular Properties

Compound Name(2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide
PubChem CID129446442
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name(2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide
SMILESCc1cc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)cc(C)c1F
InChIInChI=1S/C15H22FNO3S/c1-9-7-13(8-10(2)15(9)16)11(3)17-21(18,19)14-5-6-20-12(14)4/h7-8,11-12,14,17H,5-6H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeyWRMORAPMXSSEFY-OBJOEFQTSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide?
The IUPAC name of (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide (CID 129446442) is (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide.
What is the SMILES notation for (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide?
The canonical SMILES for (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide is Cc1cc([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)cc(C)c1F.
What is the InChIKey of (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide?
The InChIKey is WRMORAPMXSSEFY-OBJOEFQTSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-9-7-13(8-10(2)15(9)16)11(3)17-21(18,19)14-5-6-20-12(14)4/h7-8,11-12,14,17H,5-6H2,1-4H3/t11-,12-,14-/m0/s1.
What are the key properties of (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide?
(2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-methyloxolane-3-sulfonamide is sourced from PubChem (CID 129446442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).