3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide

C18H14FNO3S — CID 56593207

IUPAC3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H14FNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
InChIKeyNWYYEAUKZFVVIL-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.42
Rot. Bonds5

About 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide

3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 56593207) has the molecular formula C18H14FNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID56593207
Molecular FormulaC18H14FNO3S
Molecular Weight343.38 g/mol
Exact Mass343.07
IUPAC Name3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H14FNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
InChIKeyNWYYEAUKZFVVIL-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide (CID 56593207) is 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is NWYYEAUKZFVVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H.
What are the key properties of 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide?
3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 343.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 56593207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).