N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide

C11H15FN2O3S — CID 143814136

IUPACN-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide
SMILESCc1cc(S(=O)(=O)N(C)C)c(N(C)C=O)cc1F
InChIInChI=1S/C11H15FN2O3S/c1-8-5-11(18(16,17)13(2)3)10(6-9(8)12)14(4)7-15/h5-7H,1-4H3
InChIKeyVFESLHIVNKDWAQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide

N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide (PubChem CID 143814136) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide
PubChem CID143814136
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide
SMILESCc1cc(S(=O)(=O)N(C)C)c(N(C)C=O)cc1F
InChIInChI=1S/C11H15FN2O3S/c1-8-5-11(18(16,17)13(2)3)10(6-9(8)12)14(4)7-15/h5-7H,1-4H3
InChIKeyVFESLHIVNKDWAQ-UHFFFAOYSA-N
XLogP0.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide (CID 143814136) is N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide is Cc1cc(S(=O)(=O)N(C)C)c(N(C)C=O)cc1F.
What is the InChIKey of N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide?
The InChIKey is VFESLHIVNKDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-8-5-11(18(16,17)13(2)3)10(6-9(8)12)14(4)7-15/h5-7H,1-4H3.
What are the key properties of N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide?
N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide has a molecular weight of 274.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)-5-fluoro-4-methylphenyl]-N-methylformamide is sourced from PubChem (CID 143814136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).