3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

C18H19F3N2O5S — CID 55508199

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19F3N2O5S/c1-23(2)29(25,26)16-10-12(8-9-15(16)27-3)17(24)22-13-6-4-5-7-14(13)28-11-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyHJAIPBYEWASBJZ-UHFFFAOYSA-N
MW432.42 g/mol
LogP3.14
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 55508199) has the molecular formula C18H19F3N2O5S and a molecular weight of 432.42 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID55508199
Molecular FormulaC18H19F3N2O5S
Molecular Weight432.42 g/mol
Exact Mass432.10
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19F3N2O5S/c1-23(2)29(25,26)16-10-12(8-9-15(16)27-3)17(24)22-13-6-4-5-7-14(13)28-11-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyHJAIPBYEWASBJZ-UHFFFAOYSA-N
XLogP3.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55535495
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 46696547
2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55343291
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 110295913
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166832
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
3-(dimethylsulfamoyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18166162
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33370284
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 55508199) is 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is HJAIPBYEWASBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O5S/c1-23(2)29(25,26)16-10-12(8-9-15(16)27-3)17(24)22-13-6-4-5-7-14(13)28-11-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 432.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 55508199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).