4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide

C20H24FNO4S — CID 27451467

IUPAC4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C20H24FNO4S/c1-2-26-18-7-9-19(10-8-18)27(23,24)22-15-20(11-13-25-14-12-20)16-3-5-17(21)6-4-16/h3-10,22H,2,11-15H2,1H3
InChIKeyAEGCMOHJYMUURX-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.25
Rot. Bonds7

About 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide

4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide (PubChem CID 27451467) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
PubChem CID27451467
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C20H24FNO4S/c1-2-26-18-7-9-19(10-8-18)27(23,24)22-15-20(11-13-25-14-12-20)16-3-5-17(21)6-4-16/h3-10,22H,2,11-15H2,1H3
InChIKeyAEGCMOHJYMUURX-UHFFFAOYSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-5-methylbenzenesulfonamide
CID 27451528
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269691
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563
1-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111232098
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000511
4-nitro-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450259
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide (CID 27451467) is 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
The InChIKey is AEGCMOHJYMUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-2-26-18-7-9-19(10-8-18)27(23,24)22-15-20(11-13-25-14-12-20)16-3-5-17(21)6-4-16/h3-10,22H,2,11-15H2,1H3.
What are the key properties of 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide has a molecular weight of 393.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 27451467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).