N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide

C12H17FN2O3S — CID 107326734

IUPACN-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H17FN2O3S/c1-8-6-11(13)7-9(2)12(8)19(17,18)15-5-4-14-10(3)16/h6-7,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyHPAUQIJBRAMBMO-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.86
Rot. Bonds5

About N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 107326734) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID107326734
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H17FN2O3S/c1-8-6-11(13)7-9(2)12(8)19(17,18)15-5-4-14-10(3)16/h6-7,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyHPAUQIJBRAMBMO-UHFFFAOYSA-N
XLogP0.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328351
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
N-[2-(cyclopropylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328278
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide
CID 107326948
2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 52810187
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide
CID 57430469

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 107326734) is N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is HPAUQIJBRAMBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8-6-11(13)7-9(2)12(8)19(17,18)15-5-4-14-10(3)16/h6-7,15H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 288.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 107326734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).