1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone

C10H11F3N2O3S — CID 114808702

IUPAC1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NS(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-7(16)8-3-2-4-9(5-8)15-19(17,18)14-6-10(11,12)13/h2-5,14-15H,6H2,1H3
InChIKeyFSNKSUHFULZFEX-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.70
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone

1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone (PubChem CID 114808702) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
PubChem CID114808702
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NS(=O)(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-7(16)8-3-2-4-9(5-8)15-19(17,18)14-6-10(11,12)13/h2-5,14-15H,6H2,1H3
InChIKeyFSNKSUHFULZFEX-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
CID 113421750
(3-acetylphenyl)sulfamic acid
CID 12629151
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829726
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone (CID 114808702) is 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone is CC(=O)c1cccc(NS(=O)(=O)NCC(F)(F)F)c1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone?
The InChIKey is FSNKSUHFULZFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-7(16)8-3-2-4-9(5-8)15-19(17,18)14-6-10(11,12)13/h2-5,14-15H,6H2,1H3.
What are the key properties of 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone?
1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone has a molecular weight of 296.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone is sourced from PubChem (CID 114808702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).