N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide

C15H14FNO3S — CID 2438709

IUPACN-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-8-4-12(5-9-14)15(18)17-10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIAPDTJBGIJVZSO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide

N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide (PubChem CID 2438709) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide
PubChem CID2438709
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-8-4-12(5-9-14)15(18)17-10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIAPDTJBGIJVZSO-UHFFFAOYSA-N
XLogP2.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide (CID 2438709) is N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
The InChIKey is IAPDTJBGIJVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-21(19,20)14-8-4-12(5-9-14)15(18)17-10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 2438709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).