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

C19H22FNO3S — CID 68913673

IUPACN-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1COCC1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-19-12-24-11-18(19)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
InChIKeyIWXWUTXLJYYUKF-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.30
Rot. Bonds5

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

N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (PubChem CID 68913673) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
PubChem CID68913673
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1COCC1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-19-12-24-11-18(19)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
InChIKeyIWXWUTXLJYYUKF-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (CID 68913673) is N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1COCC1c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is IWXWUTXLJYYUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-13(2)25(22,23)21-19-12-24-11-18(19)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-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 68913673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).