4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine

C16H15ClFNO3S — CID 16895243

IUPAC4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H15ClFNO3S/c17-14-10-13(6-7-15(14)18)23(20,21)19-8-9-22-16(11-19)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyKEFOODQZCPPBDD-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.24
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine

4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895243) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895243
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC Name4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H15ClFNO3S/c17-14-10-13(6-7-15(14)18)23(20,21)19-8-9-22-16(11-19)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2
InChIKeyKEFOODQZCPPBDD-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
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-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine (CID 16895243) is 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is KEFOODQZCPPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c17-14-10-13(6-7-15(14)18)23(20,21)19-8-9-22-16(11-19)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine?
4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 355.82 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).