4-(4-hexylphenyl)sulfonylmorpholine

C16H25NO3S — CID 84557725

IUPAC4-(4-hexylphenyl)sulfonylmorpholine
SMILESCCCCCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-2-3-4-5-6-15-7-9-16(10-8-15)21(18,19)17-11-13-20-14-12-17/h7-10H,2-6,11-14H2,1H3
InChIKeyURWIFDKNJYFIGD-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.83
Rot. Bonds7

About 4-(4-hexylphenyl)sulfonylmorpholine

4-(4-hexylphenyl)sulfonylmorpholine (PubChem CID 84557725) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(4-hexylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-hexylphenyl)sulfonylmorpholine
PubChem CID84557725
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-(4-hexylphenyl)sulfonylmorpholine
SMILESCCCCCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-2-3-4-5-6-15-7-9-16(10-8-15)21(18,19)17-11-13-20-14-12-17/h7-10H,2-6,11-14H2,1H3
InChIKeyURWIFDKNJYFIGD-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
9-(4-butylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3777515
1-(4-dodecylphenyl)sulfonyl-3-ethylpiperidine
CID 67670447
N-(1-aminohexan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119668403
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
4-octatriacontylbenzenesulfonic acid
CID 101306527

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-hexylphenyl)sulfonylmorpholine (CID 84557725) is 4-(4-hexylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-hexylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-hexylphenyl)sulfonylmorpholine is CCCCCCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-hexylphenyl)sulfonylmorpholine?
The InChIKey is URWIFDKNJYFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-3-4-5-6-15-7-9-16(10-8-15)21(18,19)17-11-13-20-14-12-17/h7-10H,2-6,11-14H2,1H3.
What are the key properties of 4-(4-hexylphenyl)sulfonylmorpholine?
4-(4-hexylphenyl)sulfonylmorpholine has a molecular weight of 311.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylphenyl)sulfonylmorpholine is sourced from PubChem (CID 84557725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).