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

C20H22N2O3S — CID 52947551

IUPACN-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-14(2)26(23,24)22-20-13-25-12-19(20)18-9-7-17(8-10-18)16-5-3-15(11-21)4-6-16/h3-10,14,19-20,22H,12-13H2,1-2H3/t19-,20-/m1/s1
InChIKeyOZNMMUIATVLKHI-WOJBJXKFSA-N
MW370.47 g/mol
LogP3.04
Rot. Bonds5

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

N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (PubChem CID 52947551) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
PubChem CID52947551
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H22N2O3S/c1-14(2)26(23,24)22-20-13-25-12-19(20)18-9-7-17(8-10-18)16-5-3-15(11-21)4-6-16/h3-10,14,19-20,22H,12-13H2,1-2H3/t19-,20-/m1/s1
InChIKeyOZNMMUIATVLKHI-WOJBJXKFSA-N
XLogP3.04
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (CID 52947551) is N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is OZNMMUIATVLKHI-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14(2)26(23,24)22-20-13-25-12-19(20)18-9-7-17(8-10-18)16-5-3-15(11-21)4-6-16/h3-10,14,19-20,22H,12-13H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[4-(4-cyanophenyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 52947551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).