N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide

C19H22FNO3S — CID 68940166

IUPACN-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCOC1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-18-11-12-24-19(18)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,13,18-19,21H,11-12H2,1-2H3
InChIKeyCTQFGWIWSFSWNT-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.65
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide

N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (PubChem CID 68940166) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
PubChem CID68940166
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCOC1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-18-11-12-24-19(18)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,13,18-19,21H,11-12H2,1-2H3
InChIKeyCTQFGWIWSFSWNT-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (CID 68940166) is N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCOC1c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is CTQFGWIWSFSWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-18-11-12-24-19(18)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10,13,18-19,21H,11-12H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 68940166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).