2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C11H12F4N2O3S — CID 81480170

IUPAC2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)N(C)CC(F)(F)F)c1F
InChIInChI=1S/C11H12F4N2O3S/c1-6-3-7(21(16,19)20)4-8(9(6)12)10(18)17(2)5-11(13,14)15/h3-4H,5H2,1-2H3,(H2,16,19,20)
InChIKeyOSJGVVHBGAYEJO-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.42
Rot. Bonds3

About 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 81480170) has the molecular formula C11H12F4N2O3S and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID81480170
Molecular FormulaC11H12F4N2O3S
Molecular Weight328.29 g/mol
Exact Mass328.05
IUPAC Name2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)N(C)CC(F)(F)F)c1F
InChIInChI=1S/C11H12F4N2O3S/c1-6-3-7(21(16,19)20)4-8(9(6)12)10(18)17(2)5-11(13,14)15/h3-4H,5H2,1-2H3,(H2,16,19,20)
InChIKeyOSJGVVHBGAYEJO-UHFFFAOYSA-N
XLogP1.42
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81478870
2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81482028
N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62046315
2-fluoro-3-methyl-5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]benzoic acid
CID 81426385
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 81481655
N,N,2,3-tetramethyl-5-sulfamoylbenzamide
CID 65373871
3-amino-4-fluoro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115421301
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 104830380

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 81480170) is 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(S(N)(=O)=O)cc(C(=O)N(C)CC(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OSJGVVHBGAYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O3S/c1-6-3-7(21(16,19)20)4-8(9(6)12)10(18)17(2)5-11(13,14)15/h3-4H,5H2,1-2H3,(H2,16,19,20).
What are the key properties of 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 328.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 81480170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).