3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide

C12H17FN2O3S — CID 79864806

IUPAC3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-14-11-9(5-4-6-10(11)13)12(16)15(2)7-8-19(3,17)18/h4-6,14H,7-8H2,1-3H3
InChIKeyIQBMDFQYNXQLIZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.98
Rot. Bonds5

About 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide

3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide (PubChem CID 79864806) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
PubChem CID79864806
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-14-11-9(5-4-6-10(11)13)12(16)15(2)7-8-19(3,17)18/h4-6,14H,7-8H2,1-3H3
InChIKeyIQBMDFQYNXQLIZ-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79865248
N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 113426327
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64641542
3-fluoro-N-methyl-2-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64519493
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide (CID 79864806) is 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide is CNc1c(F)cccc1C(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is IQBMDFQYNXQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-14-11-9(5-4-6-10(11)13)12(16)15(2)7-8-19(3,17)18/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 288.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 79864806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).