N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide

C15H16FNO3S — CID 56764852

IUPACN-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCOc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO3S/c1-12-7-8-13(11-15(12)16)17-21(18,19)10-9-20-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyJHAARGWCGXNEPD-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.95
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide

N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide (PubChem CID 56764852) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide
PubChem CID56764852
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCOc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO3S/c1-12-7-8-13(11-15(12)16)17-21(18,19)10-9-20-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyJHAARGWCGXNEPD-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide (CID 56764852) is N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide is Cc1ccc(NS(=O)(=O)CCOc2ccccc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide?
The InChIKey is JHAARGWCGXNEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-12-7-8-13(11-15(12)16)17-21(18,19)10-9-20-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide?
N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 56764852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).