N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide

C14H9F5N2O3S — CID 5193248

IUPACN-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H9F5N2O3S/c1-6(22)20-7-2-4-8(5-3-7)25(23,24)21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21H,1H3,(H,20,22)
InChIKeyGCLNGLJHXVNBQI-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.14
Rot. Bonds4

About N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide

N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 5193248) has the molecular formula C14H9F5N2O3S and a molecular weight of 380.29 g/mol. Its IUPAC name is N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID5193248
Molecular FormulaC14H9F5N2O3S
Molecular Weight380.29 g/mol
Exact Mass380.03
IUPAC NameN-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C14H9F5N2O3S/c1-6(22)20-7-2-4-8(5-3-7)25(23,24)21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21H,1H3,(H,20,22)
InChIKeyGCLNGLJHXVNBQI-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide
CID 10789418
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide (CID 5193248) is N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is GCLNGLJHXVNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2O3S/c1-6(22)20-7-2-4-8(5-3-7)25(23,24)21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21H,1H3,(H,20,22).
What are the key properties of N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 380.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 5193248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).