N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide

C14H14FNO2S — CID 803284

IUPACN-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C14H14FNO2S/c1-11-7-8-13(15)14(9-11)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyXRYPNKZQWDVXIU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.08
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide

N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 803284) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID803284
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C14H14FNO2S/c1-11-7-8-13(15)14(9-11)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyXRYPNKZQWDVXIU-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide (CID 803284) is N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide is Cc1ccc(F)c(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is XRYPNKZQWDVXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-11-7-8-13(15)14(9-11)16-19(17,18)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide?
N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 279.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 803284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).