4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine

C17H18ClNO3S — CID 16895304

IUPAC4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine
SMILESO=S(=O)(Cc1cccc(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H18ClNO3S/c18-16-8-4-5-14(11-16)13-23(20,21)19-9-10-22-17(12-19)15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2
InChIKeyCIEXJUWCCQKSJT-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.24
Rot. Bonds4

About 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine

4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine (PubChem CID 16895304) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine
PubChem CID16895304
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine
SMILESO=S(=O)(Cc1cccc(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H18ClNO3S/c18-16-8-4-5-14(11-16)13-23(20,21)19-9-10-22-17(12-19)15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2
InChIKeyCIEXJUWCCQKSJT-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine?
The IUPAC name of 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine (CID 16895304) is 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine is O=S(=O)(Cc1cccc(Cl)c1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine?
The InChIKey is CIEXJUWCCQKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c18-16-8-4-5-14(11-16)13-23(20,21)19-9-10-22-17(12-19)15-6-2-1-3-7-15/h1-8,11,17H,9-10,12-13H2.
What are the key properties of 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine?
4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine has a molecular weight of 351.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylsulfonyl]-2-phenylmorpholine is sourced from PubChem (CID 16895304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).