2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide

C22H23F3N2O5S — CID 55548577

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23F3N2O5S/c23-22(24,25)14-4-3-5-15(12-14)26-21(28)17-6-1-2-7-18(17)27-33(29,30)16-8-9-19-20(13-16)32-11-10-31-19/h1-2,6-9,13-15,27H,3-5,10-12H2,(H,26,28)
InChIKeyBYTDGVUMRZPYBC-UHFFFAOYSA-N
MW484.50 g/mol
LogP4.11
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 55548577) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID55548577
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23F3N2O5S/c23-22(24,25)14-4-3-5-15(12-14)26-21(28)17-6-1-2-7-18(17)27-33(29,30)16-8-9-19-20(13-16)32-11-10-31-19/h1-2,6-9,13-15,27H,3-5,10-12H2,(H,26,28)
InChIKeyBYTDGVUMRZPYBC-UHFFFAOYSA-N
XLogP4.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55854355
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 55626752
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 42936334
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 41408334
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55543134
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
CID 55618964
N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658665
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide (CID 55548577) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCCC(C(F)(F)F)C1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is BYTDGVUMRZPYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c23-22(24,25)14-4-3-5-15(12-14)26-21(28)17-6-1-2-7-18(17)27-33(29,30)16-8-9-19-20(13-16)32-11-10-31-19/h1-2,6-9,13-15,27H,3-5,10-12H2,(H,26,28).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 484.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 55548577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).