N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride

C8H7ClF2N2O3S — CID 140963429

IUPACN-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride
SMILESCC(=O)Nc1ccc(N(F)S(=O)(=O)F)c(Cl)c1
InChIInChI=1S/C8H7ClF2N2O3S/c1-5(14)12-6-2-3-8(7(9)4-6)13(10)17(11,15)16/h2-4H,1H3,(H,12,14)
InChIKeyCMWHKAUHHFGYCO-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.20
Rot. Bonds3

About N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride

N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride (PubChem CID 140963429) has the molecular formula C8H7ClF2N2O3S and a molecular weight of 284.67 g/mol. Its IUPAC name is N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride.

Molecular Properties

Compound NameN-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride
PubChem CID140963429
Molecular FormulaC8H7ClF2N2O3S
Molecular Weight284.67 g/mol
Exact Mass283.98
IUPAC NameN-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride
SMILESCC(=O)Nc1ccc(N(F)S(=O)(=O)F)c(Cl)c1
InChIInChI=1S/C8H7ClF2N2O3S/c1-5(14)12-6-2-3-8(7(9)4-6)13(10)17(11,15)16/h2-4H,1H3,(H,12,14)
InChIKeyCMWHKAUHHFGYCO-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(dimethylamino)phenyl]acetamide
CID 19857498
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-[4-[[3-chloro-4-[2-hydroxyethyl(methyl)amino]phenyl]carbamothioylamino]phenyl]acetamide
CID 15954881
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
3-chloro-N-(3,4-dichlorophenyl)but-2-enamide
CID 54340500
N-(3,5-dichloro-4-iodophenyl)acetamide
CID 156599788
1-tert-butylsulfonyl-3-(3,4-dichlorophenyl)-1-methylurea
CID 21414083
1-[(3,4-dichlorophenyl)carbamoyl]-1,3,3-trimethylurea
CID 12876090
N-[3-chloro-4-(dimethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 55826230
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride?
The IUPAC name of N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride (CID 140963429) is N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride.
What is the SMILES notation for N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride?
The canonical SMILES for N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride is CC(=O)Nc1ccc(N(F)S(=O)(=O)F)c(Cl)c1.
What is the InChIKey of N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride?
The InChIKey is CMWHKAUHHFGYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O3S/c1-5(14)12-6-2-3-8(7(9)4-6)13(10)17(11,15)16/h2-4H,1H3,(H,12,14).
What are the key properties of N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride?
N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride has a molecular weight of 284.67 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chlorophenyl)-N-fluorosulfamoyl fluoride is sourced from PubChem (CID 140963429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).