N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide

C15H20FNO3S — CID 136581524

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide
SMILESCC1OCCC1S(=O)(=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H20FNO3S/c1-10-15(6-7-20-10)21(18,19)17-12-8-11(9-12)13-4-2-3-5-14(13)16/h2-5,10-12,15,17H,6-9H2,1H3
InChIKeyZYBWPANLQCMAHC-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.17
Rot. Bonds4

About N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide

N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide (PubChem CID 136581524) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide
PubChem CID136581524
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide
SMILESCC1OCCC1S(=O)(=O)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H20FNO3S/c1-10-15(6-7-20-10)21(18,19)17-12-8-11(9-12)13-4-2-3-5-14(13)16/h2-5,10-12,15,17H,6-9H2,1H3
InChIKeyZYBWPANLQCMAHC-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide (CID 136581524) is N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide is CC1OCCC1S(=O)(=O)NC1CC(c2ccccc2F)C1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide?
The InChIKey is ZYBWPANLQCMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-10-15(6-7-20-10)21(18,19)17-12-8-11(9-12)13-4-2-3-5-14(13)16/h2-5,10-12,15,17H,6-9H2,1H3.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide?
N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide has a molecular weight of 313.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide is sourced from PubChem (CID 136581524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).