N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide

C14H14FNO2S — CID 838651

IUPACN-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C14H14FNO2S/c1-19(17,18)16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10H,11H2,1H3
InChIKeyOYQUZMARTWRXNU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.79
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide

N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide (PubChem CID 838651) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide
PubChem CID838651
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C14H14FNO2S/c1-19(17,18)16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10H,11H2,1H3
InChIKeyOYQUZMARTWRXNU-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide (CID 838651) is N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide is CS(=O)(=O)N(Cc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide?
The InChIKey is OYQUZMARTWRXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-19(17,18)16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10H,11H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide?
N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide has a molecular weight of 279.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 838651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).