N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide

C19H16FNO3S — CID 146545930

IUPACN-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C19H16FNO3S/c1-24-18-9-5-6-10-19(18)25(22,23)21-17-13-15(11-12-16(17)20)14-7-3-2-4-8-14/h2-13,21H,1H3
InChIKeyDYSKHUFOXGDGDK-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.30
Rot. Bonds5

About N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide

N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 146545930) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
PubChem CID146545930
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC NameN-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C19H16FNO3S/c1-24-18-9-5-6-10-19(18)25(22,23)21-17-13-15(11-12-16(17)20)14-7-3-2-4-8-14/h2-13,21H,1H3
InChIKeyDYSKHUFOXGDGDK-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide (CID 146545930) is N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F.
What is the InChIKey of N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is DYSKHUFOXGDGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-24-18-9-5-6-10-19(18)25(22,23)21-17-13-15(11-12-16(17)20)14-7-3-2-4-8-14/h2-13,21H,1H3.
What are the key properties of N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 146545930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).