2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

C19H16FNO3S — CID 23217132

IUPAC2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C19H16FNO3S/c1-24-18-11-10-13(12-17(18)20)14-6-2-3-7-15(14)16-8-4-5-9-19(16)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
InChIKeyDRRMHPDLMVZYPU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 23217132) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID23217132
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C19H16FNO3S/c1-24-18-11-10-13(12-17(18)20)14-6-2-3-7-15(14)16-8-4-5-9-19(16)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
InChIKeyDRRMHPDLMVZYPU-UHFFFAOYSA-N
XLogP3.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (CID 23217132) is 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc1F.
What is the InChIKey of 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is DRRMHPDLMVZYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-24-18-11-10-13(12-17(18)20)14-6-2-3-7-15(14)16-8-4-5-9-19(16)25(21,22)23/h2-12H,1H3,(H2,21,22,23).
What are the key properties of 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23217132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).