2-fluoro-6-methyl-3-methylsulfonylbenzamide

C9H10FNO3S — CID 123693486

IUPAC2-fluoro-6-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)c(F)c1C(N)=O
InChIInChI=1S/C9H10FNO3S/c1-5-3-4-6(15(2,13)14)8(10)7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeySYRPDJSUKXVAMD-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.64
Rot. Bonds2

About 2-fluoro-6-methyl-3-methylsulfonylbenzamide

2-fluoro-6-methyl-3-methylsulfonylbenzamide (PubChem CID 123693486) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-fluoro-6-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-3-methylsulfonylbenzamide
PubChem CID123693486
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name2-fluoro-6-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)c(F)c1C(N)=O
InChIInChI=1S/C9H10FNO3S/c1-5-3-4-6(15(2,13)14)8(10)7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeySYRPDJSUKXVAMD-UHFFFAOYSA-N
XLogP0.64
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-3-methylsulfonylbenzamide?
The IUPAC name of 2-fluoro-6-methyl-3-methylsulfonylbenzamide (CID 123693486) is 2-fluoro-6-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-6-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-6-methyl-3-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)c(F)c1C(N)=O.
What is the InChIKey of 2-fluoro-6-methyl-3-methylsulfonylbenzamide?
The InChIKey is SYRPDJSUKXVAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c1-5-3-4-6(15(2,13)14)8(10)7(5)9(11)12/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 2-fluoro-6-methyl-3-methylsulfonylbenzamide?
2-fluoro-6-methyl-3-methylsulfonylbenzamide has a molecular weight of 231.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 123693486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).