2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide

C11H11FN2O3S — CID 114232259

IUPAC2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)Cc1cc(C#N)ccc1F
InChIInChI=1S/C11H11FN2O3S/c1-14-11(15)7-18(16,17)6-9-4-8(5-13)2-3-10(9)12/h2-4H,6-7H2,1H3,(H,14,15)
InChIKeyMARLJBCGVRMGRO-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.36
Rot. Bonds4

About 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide

2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide (PubChem CID 114232259) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide
PubChem CID114232259
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC Name2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)Cc1cc(C#N)ccc1F
InChIInChI=1S/C11H11FN2O3S/c1-14-11(15)7-18(16,17)6-9-4-8(5-13)2-3-10(9)12/h2-4H,6-7H2,1H3,(H,14,15)
InChIKeyMARLJBCGVRMGRO-UHFFFAOYSA-N
XLogP0.36
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-cyano-2-fluorophenyl)methanesulfonyl fluoride
CID 165453498
2-[1-[(5-cyano-2-fluorophenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65443313
2-[(5-cyano-2-fluorophenyl)methylamino]-N-ethylpropanamide
CID 54953624
2-[(5-cyano-2-fluorophenyl)methyl]-1,3-diethylguanidine
CID 86777917
4-fluoro-3-[(2-methoxyethoxyamino)methyl]benzonitrile
CID 82721801
ethyl 2-(5-cyano-2-fluorophenyl)acetate
CID 134652042
2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide
CID 43657341
3-[(5-cyano-2-fluorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 60951292
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
N-[2-[(5-cyano-2-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43546043
4-fluoro-3-(thiophen-2-ylsulfonylmethyl)benzonitrile
CID 64692827
(5-cyano-2-fluorophenyl)methyl (2S)-2-(benzenesulfonamido)propanoate
CID 55936418

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide?
The IUPAC name of 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide (CID 114232259) is 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide is CNC(=O)CS(=O)(=O)Cc1cc(C#N)ccc1F.
What is the InChIKey of 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide?
The InChIKey is MARLJBCGVRMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-14-11(15)7-18(16,17)6-9-4-8(5-13)2-3-10(9)12/h2-4H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide?
2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide has a molecular weight of 270.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide is sourced from PubChem (CID 114232259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).