4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

C16H21F3N2O4S — CID 71796114

IUPAC4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CCOCC2)cc1
InChIInChI=1S/C16H21F3N2O4S/c1-20(2)26(23,24)14-5-3-12(4-6-14)15(22)21(11-16(17,18)19)13-7-9-25-10-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyGSTXNCIVCMHAPS-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.12
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71796114) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71796114
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC Name4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CCOCC2)cc1
InChIInChI=1S/C16H21F3N2O4S/c1-20(2)26(23,24)14-5-3-12(4-6-14)15(22)21(11-16(17,18)19)13-7-9-25-10-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyGSTXNCIVCMHAPS-UHFFFAOYSA-N
XLogP2.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 71796114) is 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CCOCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GSTXNCIVCMHAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c1-20(2)26(23,24)14-5-3-12(4-6-14)15(22)21(11-16(17,18)19)13-7-9-25-10-8-13/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 394.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71796114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).