3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide

C21H21F3N2O5S — CID 42936334

IUPAC3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H21F3N2O5S/c22-21(23,24)14-4-2-5-15(10-14)25-20(27)13-3-1-6-17(9-13)32(28,29)26-16-7-8-18-19(11-16)31-12-30-18/h1,3,6-9,11,14-15,26H,2,4-5,10,12H2,(H,25,27)
InChIKeyNHDOMRRFTCTDKM-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.07
Rot. Bonds5

About 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide

3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 42936334) has the molecular formula C21H21F3N2O5S and a molecular weight of 470.47 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID42936334
Molecular FormulaC21H21F3N2O5S
Molecular Weight470.47 g/mol
Exact Mass470.11
IUPAC Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H21F3N2O5S/c22-21(23,24)14-4-2-5-15(10-14)25-20(27)13-3-1-6-17(9-13)32(28,29)26-16-7-8-18-19(11-16)31-12-30-18/h1,3,6-9,11,14-15,26H,2,4-5,10,12H2,(H,25,27)
InChIKeyNHDOMRRFTCTDKM-UHFFFAOYSA-N
XLogP4.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 25348383
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
CID 9271915
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55548577
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55535479
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575917
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163346
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224817
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide
CID 73353692
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide (CID 42936334) is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is NHDOMRRFTCTDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O5S/c22-21(23,24)14-4-2-5-15(10-14)25-20(27)13-3-1-6-17(9-13)32(28,29)26-16-7-8-18-19(11-16)31-12-30-18/h1,3,6-9,11,14-15,26H,2,4-5,10,12H2,(H,25,27).
What are the key properties of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 470.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 42936334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).