4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine

C11H13ClFNO3S — CID 2805841

IUPAC4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine
SMILESCc1c(S(=O)(=O)N2CCOCC2)ccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO3S/c1-8-10(3-2-9(12)11(8)13)18(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyITWSPGZXFBPBAI-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.81
Rot. Bonds2

About 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine

4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine (PubChem CID 2805841) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine
PubChem CID2805841
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine
SMILESCc1c(S(=O)(=O)N2CCOCC2)ccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO3S/c1-8-10(3-2-9(12)11(8)13)18(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyITWSPGZXFBPBAI-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine (CID 2805841) is 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine is Cc1c(S(=O)(=O)N2CCOCC2)ccc(Cl)c1F.
What is the InChIKey of 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine?
The InChIKey is ITWSPGZXFBPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c1-8-10(3-2-9(12)11(8)13)18(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine?
4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine has a molecular weight of 293.75 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 2805841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).