4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine

C16H19NO4S — CID 818895

IUPAC4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C16H19NO4S/c1-2-21-15-7-8-16(14-6-4-3-5-13(14)15)22(18,19)17-9-11-20-12-10-17/h3-8H,2,9-12H2,1H3
InChIKeyXRUMITZNXNMNGX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.26
Rot. Bonds4

About 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine

4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine (PubChem CID 818895) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine
PubChem CID818895
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C16H19NO4S/c1-2-21-15-7-8-16(14-6-4-3-5-13(14)15)22(18,19)17-9-11-20-12-10-17/h3-8H,2,9-12H2,1H3
InChIKeyXRUMITZNXNMNGX-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
CID 3148555
1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
1-(4-Methoxynaphthalen-1-yl)sulfonylpyrrolidine
CID 6471744
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
Ethyl 4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazine-1-carboxylate
CID 1260937
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
N-[(4-methoxy-1-naphthyl)sulfonyl]-N-methylglycine
CID 729581
[(4-Methoxynaphthyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 652874

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine?
The IUPAC name of 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine (CID 818895) is 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine?
The canonical SMILES for 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine is CCOc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine?
The InChIKey is XRUMITZNXNMNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-2-21-15-7-8-16(14-6-4-3-5-13(14)15)22(18,19)17-9-11-20-12-10-17/h3-8H,2,9-12H2,1H3.
What are the key properties of 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine?
4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine has a molecular weight of 321.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxynaphthalen-1-yl)sulfonylmorpholine is sourced from PubChem (CID 818895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).