4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide

C19H16FNO3S — CID 1494482

IUPAC4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO3S/c20-16-6-12-19(13-7-16)25(22,23)21-17-8-10-18(11-9-17)24-14-15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyYXTYWLIRSWBRCO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.21
Rot. Bonds6

About 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide

4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 1494482) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID1494482
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO3S/c20-16-6-12-19(13-7-16)25(22,23)21-17-8-10-18(11-9-17)24-14-15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyYXTYWLIRSWBRCO-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 1494482) is 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is YXTYWLIRSWBRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c20-16-6-12-19(13-7-16)25(22,23)21-17-8-10-18(11-9-17)24-14-15-4-2-1-3-5-15/h1-13,21H,14H2.
What are the key properties of 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1494482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).