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

C19H22FNO3S — CID 24740206

IUPACN-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COC[C@H]1c1ccc(-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/t18-,19-/m0/s1
InChIKeyIWXWUTXLJYYUKF-OALUTQOASA-N
MW363.45 g/mol
LogP3.30
Rot. Bonds5

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

N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (PubChem CID 24740206) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
PubChem CID24740206
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COC[C@H]1c1ccc(-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/t18-,19-/m0/s1
InChIKeyIWXWUTXLJYYUKF-OALUTQOASA-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-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (CID 24740206) is N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1COC[C@H]1c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is IWXWUTXLJYYUKF-OALUTQOASA-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/t18-,19-/m0/s1.
What are the key properties of N-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
N-[(3R,4S)-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-[(3R,4S)-4-[4-(4-fluorophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 24740206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).