N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide

C14H20FNO3S — CID 71997808

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CC2CCOCC2)cc1F
InChIInChI=1S/C14H20FNO3S/c1-11-2-3-13(8-14(11)15)9-16-20(17,18)10-12-4-6-19-7-5-12/h2-3,8,12,16H,4-7,9-10H2,1H3
InChIKeyYCKXVGFAOIEIMM-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.98
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide

N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 71997808) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID71997808
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CC2CCOCC2)cc1F
InChIInChI=1S/C14H20FNO3S/c1-11-2-3-13(8-14(11)15)9-16-20(17,18)10-12-4-6-19-7-5-12/h2-3,8,12,16H,4-7,9-10H2,1H3
InChIKeyYCKXVGFAOIEIMM-UHFFFAOYSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide (CID 71997808) is N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide is Cc1ccc(CNS(=O)(=O)CC2CCOCC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is YCKXVGFAOIEIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-2-3-13(8-14(11)15)9-16-20(17,18)10-12-4-6-19-7-5-12/h2-3,8,12,16H,4-7,9-10H2,1H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide?
N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 71997808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).