N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide

C19H16FNO2S — CID 23217579

IUPACN-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H16FNO2S/c1-14-11-12-15(13-18(14)20)17-9-5-6-10-19(17)21-24(22,23)16-7-3-2-4-8-16/h2-13,21H,1H3
InChIKeyLMBHUFTVBYESFM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.60
Rot. Bonds4

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

N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 23217579) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide
PubChem CID23217579
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC NameN-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C19H16FNO2S/c1-14-11-12-15(13-18(14)20)17-9-5-6-10-19(17)21-24(22,23)16-7-3-2-4-8-16/h2-13,21H,1H3
InChIKeyLMBHUFTVBYESFM-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide (CID 23217579) is N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide is Cc1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is LMBHUFTVBYESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-14-11-12-15(13-18(14)20)17-9-5-6-10-19(17)21-24(22,23)16-7-3-2-4-8-16/h2-13,21H,1H3.
What are the key properties of N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide?
N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23217579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).