N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide

C19H23NO4S — CID 58361191

IUPACN-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC1(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14(2)25(22,23)20-18-12-24-13-19(18,21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18,20-21H,12-13H2,1-2H3/t18-,19?/m0/s1
InChIKeyMHDSSGYIQGBGSA-OYKVQYDMSA-N
MW361.46 g/mol
LogP2.27
Rot. Bonds5

About N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide

N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide (PubChem CID 58361191) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide
PubChem CID58361191
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COCC1(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14(2)25(22,23)20-18-12-24-13-19(18,21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18,20-21H,12-13H2,1-2H3/t18-,19?/m0/s1
InChIKeyMHDSSGYIQGBGSA-OYKVQYDMSA-N
XLogP2.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide (CID 58361191) is N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1COCC1(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is MHDSSGYIQGBGSA-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14(2)25(22,23)20-18-12-24-13-19(18,21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18,20-21H,12-13H2,1-2H3/t18-,19?/m0/s1.
What are the key properties of N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide?
N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 361.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-hydroxy-4-(4-phenylphenyl)oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 58361191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).