4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine

C13H18ClNO3S — CID 28719609

IUPAC4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(CCCCl)cc1)N1CCOCC1
InChIInChI=1S/C13H18ClNO3S/c14-7-1-2-12-3-5-13(6-4-12)19(16,17)15-8-10-18-11-9-15/h3-6H,1-2,7-11H2
InChIKeyWGCJBLWNQDNLIF-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.88
Rot. Bonds5

About 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine

4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine (PubChem CID 28719609) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
PubChem CID28719609
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(CCCCl)cc1)N1CCOCC1
InChIInChI=1S/C13H18ClNO3S/c14-7-1-2-12-3-5-13(6-4-12)19(16,17)15-8-10-18-11-9-15/h3-6H,1-2,7-11H2
InChIKeyWGCJBLWNQDNLIF-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
3-[4-(3-chloropropyl)phenyl]sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370657
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
4-[4-[2-(1,3-benzodioxol-5-yl)ethyl]phenyl]sulfonylmorpholine
CID 162418217
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
4-[4-(2-chloroethyl)phenyl]sulfonyl-2,2-dimethylmorpholine
CID 43662638
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 1300600

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine (CID 28719609) is 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(CCCCl)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine?
The InChIKey is WGCJBLWNQDNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-7-1-2-12-3-5-13(6-4-12)19(16,17)15-8-10-18-11-9-15/h3-6H,1-2,7-11H2.
What are the key properties of 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine?
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine has a molecular weight of 303.81 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 28719609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).