N-(4-fluorophenyl)-1-phenylmethanesulfonamide

C13H12FNO2S — CID 669259

IUPACN-(4-fluorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c14-12-6-8-13(9-7-12)15-18(16,17)10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyIFNVYLKEBCSIFO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.77
Rot. Bonds4

About N-(4-fluorophenyl)-1-phenylmethanesulfonamide

N-(4-fluorophenyl)-1-phenylmethanesulfonamide (PubChem CID 669259) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-phenylmethanesulfonamide
PubChem CID669259
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-(4-fluorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c14-12-6-8-13(9-7-12)15-18(16,17)10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyIFNVYLKEBCSIFO-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1-phenylmethanesulfonamide (CID 669259) is N-(4-fluorophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-phenylmethanesulfonamide?
The InChIKey is IFNVYLKEBCSIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-12-6-8-13(9-7-12)15-18(16,17)10-11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of N-(4-fluorophenyl)-1-phenylmethanesulfonamide?
N-(4-fluorophenyl)-1-phenylmethanesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 669259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).