N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide

C15H14FNO3S — CID 9412429

IUPACN-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14FNO3S/c1-10-6-7-13(21(2,19)20)9-14(10)15(18)17-12-5-3-4-11(16)8-12/h3-9H,1-2H3,(H,17,18)
InChIKeyHMZQZHSVDUOTIO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.79
Rot. Bonds3

About N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide

N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 9412429) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID9412429
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14FNO3S/c1-10-6-7-13(21(2,19)20)9-14(10)15(18)17-12-5-3-4-11(16)8-12/h3-9H,1-2H3,(H,17,18)
InChIKeyHMZQZHSVDUOTIO-UHFFFAOYSA-N
XLogP2.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26880459
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
N-[2,6-di(propan-2-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26102414
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide (CID 9412429) is N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is HMZQZHSVDUOTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-10-6-7-13(21(2,19)20)9-14(10)15(18)17-12-5-3-4-11(16)8-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide?
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 9412429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).