2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide

C16H18FNO4S — CID 2237045

IUPAC2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO4S/c1-3-21-14-9-10-15(22-4-2)16(11-14)23(19,20)18-13-7-5-12(17)6-8-13/h5-11,18H,3-4H2,1-2H3
InChIKeyGYXCSAWFNVPQIV-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.42
Rot. Bonds7

About 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide

2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 2237045) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID2237045
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO4S/c1-3-21-14-9-10-15(22-4-2)16(11-14)23(19,20)18-13-7-5-12(17)6-8-13/h5-11,18H,3-4H2,1-2H3
InChIKeyGYXCSAWFNVPQIV-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide (CID 2237045) is 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is GYXCSAWFNVPQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-3-21-14-9-10-15(22-4-2)16(11-14)23(19,20)18-13-7-5-12(17)6-8-13/h5-11,18H,3-4H2,1-2H3.
What are the key properties of 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide?
2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 2237045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).