3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide

C17H17F3N2O6S2 — CID 110166832

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H17F3N2O6S2/c1-22(2)30(26,27)15-10-11(8-9-13(15)28-3)16(23)21-29(24,25)14-7-5-4-6-12(14)17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyPRJKDUNIIHCCRW-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.08
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide (PubChem CID 110166832) has the molecular formula C17H17F3N2O6S2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
PubChem CID110166832
Molecular FormulaC17H17F3N2O6S2
Molecular Weight466.46 g/mol
Exact Mass466.05
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H17F3N2O6S2/c1-22(2)30(26,27)15-10-11(8-9-13(15)28-3)16(23)21-29(24,25)14-7-5-4-6-12(14)17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyPRJKDUNIIHCCRW-UHFFFAOYSA-N
XLogP2.08
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55343291
N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 129458061
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55508199
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534166
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide (CID 110166832) is 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide is COc1ccc(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide?
The InChIKey is PRJKDUNIIHCCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O6S2/c1-22(2)30(26,27)15-10-11(8-9-13(15)28-3)16(23)21-29(24,25)14-7-5-4-6-12(14)17(18,19)20/h4-10H,1-3H3,(H,21,23).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide has a molecular weight of 466.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide is sourced from PubChem (CID 110166832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).