4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide

C9H12F2N2O4S2 — CID 43134164

IUPAC4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)C(F)F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H12F2N2O4S2/c1-6(13-19(16,17)9(10)11)7-2-4-8(5-3-7)18(12,14)15/h2-6,9,13H,1H3,(H2,12,14,15)
InChIKeyZSMMCYHJXWKFGQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.54
Rot. Bonds5

About 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide

4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide (PubChem CID 43134164) has the molecular formula C9H12F2N2O4S2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
PubChem CID43134164
Molecular FormulaC9H12F2N2O4S2
Molecular Weight314.34 g/mol
Exact Mass314.02
IUPAC Name4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)C(F)F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H12F2N2O4S2/c1-6(13-19(16,17)9(10)11)7-2-4-8(5-3-7)18(12,14)15/h2-6,9,13H,1H3,(H2,12,14,15)
InChIKeyZSMMCYHJXWKFGQ-UHFFFAOYSA-N
XLogP0.54
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816628
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide
CID 79090299
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide (CID 43134164) is 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide is CC(NS(=O)(=O)C(F)F)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide?
The InChIKey is ZSMMCYHJXWKFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4S2/c1-6(13-19(16,17)9(10)11)7-2-4-8(5-3-7)18(12,14)15/h2-6,9,13H,1H3,(H2,12,14,15).
What are the key properties of 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide?
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide has a molecular weight of 314.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43134164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).