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

C16H18FNO4S — CID 7574411

IUPAC2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H18FNO4S/c1-3-21-12-9-10-15(22-4-2)16(11-12)23(19,20)18-14-8-6-5-7-13(14)17/h5-11,18H,3-4H2,1-2H3
InChIKeyROPQLWUVBBIVAY-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.42
Rot. Bonds7

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

2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 7574411) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID7574411
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H18FNO4S/c1-3-21-12-9-10-15(22-4-2)16(11-12)23(19,20)18-14-8-6-5-7-13(14)17/h5-11,18H,3-4H2,1-2H3
InChIKeyROPQLWUVBBIVAY-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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Related Compounds

5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
1-N,3-N-bis(2-ethoxy-3-fluorophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157222
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 39845568
N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299090
2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide
CID 164769264

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide (CID 7574411) is 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is ROPQLWUVBBIVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-3-21-12-9-10-15(22-4-2)16(11-12)23(19,20)18-14-8-6-5-7-13(14)17/h5-11,18H,3-4H2,1-2H3.
What are the key properties of 2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide?
2,5-diethoxy-N-(2-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-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 7574411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).