1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide

C14H20FNO3S — CID 125434822

IUPAC1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCOC1
InChIInChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m0/s1
InChIKeyFNHOOOZYELBHIF-LBPRGKRZSA-N
MW301.38 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide (PubChem CID 125434822) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide
PubChem CID125434822
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCOC1
InChIInChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m0/s1
InChIKeyFNHOOOZYELBHIF-LBPRGKRZSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide (CID 125434822) is 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCOC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide?
The InChIKey is FNHOOOZYELBHIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[(3S)-oxan-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 125434822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).