4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene

C13H18ClNO3S — CID 143164640

IUPAC4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene
SMILESC=CC.O=S(=O)(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C10H12ClNO3S.C3H6/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12;1-3-2/h1-4H,5-8H2;3H,1H2,2H3
InChIKeyOFWAGVXQYHMXDW-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.55
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene

4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene (PubChem CID 143164640) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene
PubChem CID143164640
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene
SMILESC=CC.O=S(=O)(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C10H12ClNO3S.C3H6/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12;1-3-2/h1-4H,5-8H2;3H,1H2,2H3
InChIKeyOFWAGVXQYHMXDW-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene?
The IUPAC name of 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene (CID 143164640) is 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene?
The canonical SMILES for 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene is C=CC.O=S(=O)(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene?
The InChIKey is OFWAGVXQYHMXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S.C3H6/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12;1-3-2/h1-4H,5-8H2;3H,1H2,2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene?
4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene has a molecular weight of 303.81 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonylmorpholine;prop-1-ene is sourced from PubChem (CID 143164640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).