N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide

C14H19F4N3O5S2 — CID 57249769

IUPACN-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC(F)(F)C(F)F
InChIInChI=1S/C14H19F4N3O5S2/c1-2-3-8-19-12(22)9-20-27(23,24)10-6-4-5-7-11(10)28(25,26)21-14(17,18)13(15)16/h4-7,13,20-21H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyYBUWZAYMNIDHID-UHFFFAOYSA-N
MW449.45 g/mol
LogP1.02
Rot. Bonds11

About N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide

N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide (PubChem CID 57249769) has the molecular formula C14H19F4N3O5S2 and a molecular weight of 449.45 g/mol. Its IUPAC name is N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
PubChem CID57249769
Molecular FormulaC14H19F4N3O5S2
Molecular Weight449.45 g/mol
Exact Mass449.07
IUPAC NameN-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC(F)(F)C(F)F
InChIInChI=1S/C14H19F4N3O5S2/c1-2-3-8-19-12(22)9-20-27(23,24)10-6-4-5-7-11(10)28(25,26)21-14(17,18)13(15)16/h4-7,13,20-21H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyYBUWZAYMNIDHID-UHFFFAOYSA-N
XLogP1.02
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990709
N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide
CID 46501725
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
CID 9224655
N-butyl-2-(2-fluorophenyl)sulfonylacetamide
CID 47148223
2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
CID 60824642
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
CID 174330760

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide (CID 57249769) is N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide is CCCCNC(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NC(F)(F)C(F)F.
What is the InChIKey of N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
The InChIKey is YBUWZAYMNIDHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N3O5S2/c1-2-3-8-19-12(22)9-20-27(23,24)10-6-4-5-7-11(10)28(25,26)21-14(17,18)13(15)16/h4-7,13,20-21H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide has a molecular weight of 449.45 g/mol, XLogP of 1.02, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 57249769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).