4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide

C16H18FNO5S2 — CID 54774369

IUPAC4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO5S2/c1-2-23-14-5-9-16(10-6-14)25(21,22)18-11-12-24(19,20)15-7-3-13(17)4-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyZGAJQPCNJFKNPR-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.98
Rot. Bonds8

About 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide

4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide (PubChem CID 54774369) has the molecular formula C16H18FNO5S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
PubChem CID54774369
Molecular FormulaC16H18FNO5S2
Molecular Weight387.45 g/mol
Exact Mass387.06
IUPAC Name4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO5S2/c1-2-23-14-5-9-16(10-6-14)25(21,22)18-11-12-24(19,20)15-7-3-13(17)4-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyZGAJQPCNJFKNPR-UHFFFAOYSA-N
XLogP1.98
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide (CID 54774369) is 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
The InChIKey is ZGAJQPCNJFKNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5S2/c1-2-23-14-5-9-16(10-6-14)25(21,22)18-11-12-24(19,20)15-7-3-13(17)4-8-15/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 54774369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).