N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide

C13H18FNO3S — CID 166232625

IUPACN-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide
SMILESCc1cccc(F)c1CNS(=O)(=O)C1CCOC1C
InChIInChI=1S/C13H18FNO3S/c1-9-4-3-5-12(14)11(9)8-15-19(16,17)13-6-7-18-10(13)2/h3-5,10,13,15H,6-8H2,1-2H3
InChIKeyONBXVNLFCDCVDE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.73
Rot. Bonds4

About N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide

N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide (PubChem CID 166232625) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide
PubChem CID166232625
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC NameN-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide
SMILESCc1cccc(F)c1CNS(=O)(=O)C1CCOC1C
InChIInChI=1S/C13H18FNO3S/c1-9-4-3-5-12(14)11(9)8-15-19(16,17)13-6-7-18-10(13)2/h3-5,10,13,15H,6-8H2,1-2H3
InChIKeyONBXVNLFCDCVDE-UHFFFAOYSA-N
XLogP1.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide?
The IUPAC name of N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide (CID 166232625) is N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide.
What is the SMILES notation for N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide?
The canonical SMILES for N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide is Cc1cccc(F)c1CNS(=O)(=O)C1CCOC1C.
What is the InChIKey of N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide?
The InChIKey is ONBXVNLFCDCVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-4-3-5-12(14)11(9)8-15-19(16,17)13-6-7-18-10(13)2/h3-5,10,13,15H,6-8H2,1-2H3.
What are the key properties of N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide?
N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methylphenyl)methyl]-2-methyloxolane-3-sulfonamide is sourced from PubChem (CID 166232625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).