2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide

C17H18F3N3O4S — CID 55343291

IUPAC2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18F3N3O4S/c1-23(2)28(25,26)15-10-11(8-9-14(15)27-3)16(24)22-21-13-7-5-4-6-12(13)17(18,19)20/h4-10,21H,1-3H3,(H,22,24)
InChIKeyRYBPOVXPQICKQN-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.72
Rot. Bonds6

About 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide

2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide (PubChem CID 55343291) has the molecular formula C17H18F3N3O4S and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
PubChem CID55343291
Molecular FormulaC17H18F3N3O4S
Molecular Weight417.41 g/mol
Exact Mass417.10
IUPAC Name2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H18F3N3O4S/c1-23(2)28(25,26)15-10-11(8-9-14(15)27-3)16(24)22-21-13-7-5-4-6-12(13)17(18,19)20/h4-10,21H,1-3H3,(H,22,24)
InChIKeyRYBPOVXPQICKQN-UHFFFAOYSA-N
XLogP2.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166832
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55508199
4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55831849
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1294281
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide (CID 55343291) is 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide is COc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide?
The InChIKey is RYBPOVXPQICKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4S/c1-23(2)28(25,26)15-10-11(8-9-14(15)27-3)16(24)22-21-13-7-5-4-6-12(13)17(18,19)20/h4-10,21H,1-3H3,(H,22,24).
What are the key properties of 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide has a molecular weight of 417.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55343291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).