N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C15H12F7N3O4S — CID 4177105

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1C
InChIInChI=1S/C15H12F7N3O4S/c1-7-8(2)24-29-11(7)25-30(27,28)10-5-3-9(4-6-10)23-12(26)13(16,17)14(18,19)15(20,21)22/h3-6,25H,1-2H3,(H,23,26)
InChIKeyLJUBPXHISILQNX-UHFFFAOYSA-N
MW463.33 g/mol
LogP3.86
Rot. Bonds6

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 4177105) has the molecular formula C15H12F7N3O4S and a molecular weight of 463.33 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID4177105
Molecular FormulaC15H12F7N3O4S
Molecular Weight463.33 g/mol
Exact Mass463.04
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1C
InChIInChI=1S/C15H12F7N3O4S/c1-7-8(2)24-29-11(7)25-30(27,28)10-5-3-9(4-6-10)23-12(26)13(16,17)14(18,19)15(20,21)22/h3-6,25H,1-2H3,(H,23,26)
InChIKeyLJUBPXHISILQNX-UHFFFAOYSA-N
XLogP3.86
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 4177105) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is LJUBPXHISILQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F7N3O4S/c1-7-8(2)24-29-11(7)25-30(27,28)10-5-3-9(4-6-10)23-12(26)13(16,17)14(18,19)15(20,21)22/h3-6,25H,1-2H3,(H,23,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 463.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 4177105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).