N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide

C15H22FNO3S — CID 100625455

IUPACN-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESC[C@H](Cc1cccc(F)c1)NS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C15H22FNO3S/c1-12(9-14-3-2-4-15(16)10-14)17-21(18,19)11-13-5-7-20-8-6-13/h2-4,10,12-13,17H,5-9,11H2,1H3/t12-/m1/s1
InChIKeyLBZQOYGSHSRBHH-GFCCVEGCSA-N
MW315.41 g/mol
LogP2.10
Rot. Bonds6

About N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide

N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 100625455) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID100625455
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESC[C@H](Cc1cccc(F)c1)NS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C15H22FNO3S/c1-12(9-14-3-2-4-15(16)10-14)17-21(18,19)11-13-5-7-20-8-6-13/h2-4,10,12-13,17H,5-9,11H2,1H3/t12-/m1/s1
InChIKeyLBZQOYGSHSRBHH-GFCCVEGCSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide (CID 100625455) is N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide is C[C@H](Cc1cccc(F)c1)NS(=O)(=O)CC1CCOCC1.
What is the InChIKey of N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is LBZQOYGSHSRBHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-12(9-14-3-2-4-15(16)10-14)17-21(18,19)11-13-5-7-20-8-6-13/h2-4,10,12-13,17H,5-9,11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide?
N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 100625455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).