3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol

C19H23NO4S — CID 154737666

IUPAC3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol
SMILESCC(C)c1cccc(S(=O)(=O)N2CCOC(c3cccc(O)c3)C2)c1
InChIInChI=1S/C19H23NO4S/c1-14(2)15-5-4-8-18(12-15)25(22,23)20-9-10-24-19(13-20)16-6-3-7-17(21)11-16/h3-8,11-12,14,19,21H,9-10,13H2,1-2H3
InChIKeyPSVWMLPLASMMLS-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.28
Rot. Bonds4

About 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol

3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol (PubChem CID 154737666) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol
PubChem CID154737666
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol
SMILESCC(C)c1cccc(S(=O)(=O)N2CCOC(c3cccc(O)c3)C2)c1
InChIInChI=1S/C19H23NO4S/c1-14(2)15-5-4-8-18(12-15)25(22,23)20-9-10-24-19(13-20)16-6-3-7-17(21)11-16/h3-8,11-12,14,19,21H,9-10,13H2,1-2H3
InChIKeyPSVWMLPLASMMLS-UHFFFAOYSA-N
XLogP3.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol?
The IUPAC name of 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol (CID 154737666) is 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol.
What is the SMILES notation for 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol?
The canonical SMILES for 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol is CC(C)c1cccc(S(=O)(=O)N2CCOC(c3cccc(O)c3)C2)c1.
What is the InChIKey of 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol?
The InChIKey is PSVWMLPLASMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14(2)15-5-4-8-18(12-15)25(22,23)20-9-10-24-19(13-20)16-6-3-7-17(21)11-16/h3-8,11-12,14,19,21H,9-10,13H2,1-2H3.
What are the key properties of 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol?
3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol has a molecular weight of 361.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-propan-2-ylphenyl)sulfonylmorpholin-2-yl]phenol is sourced from PubChem (CID 154737666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).