1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide

C13H18FNO4S — CID 81130067

IUPAC1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C13H18FNO4S/c14-12-3-1-11(2-4-12)9-20(17,18)15-10-13(16)5-7-19-8-6-13/h1-4,15-16H,5-10H2
InChIKeyQLRRBPKTHYQFOV-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.79
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide (PubChem CID 81130067) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide
PubChem CID81130067
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C13H18FNO4S/c14-12-3-1-11(2-4-12)9-20(17,18)15-10-13(16)5-7-19-8-6-13/h1-4,15-16H,5-10H2
InChIKeyQLRRBPKTHYQFOV-UHFFFAOYSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide (CID 81130067) is 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC1(O)CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide?
The InChIKey is QLRRBPKTHYQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c14-12-3-1-11(2-4-12)9-20(17,18)15-10-13(16)5-7-19-8-6-13/h1-4,15-16H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 81130067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).