4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide

C18H21F3N4O4S — CID 90615637

IUPAC4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C18H21F3N4O4S/c1-24(2)30(27,28)13-5-3-12(4-6-13)17(26)22-8-9-25-15-7-10-29-11-14(15)16(23-25)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,26)
InChIKeyZGIMWHFOEADEAV-UHFFFAOYSA-N
MW446.45 g/mol
LogP1.65
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide (PubChem CID 90615637) has the molecular formula C18H21F3N4O4S and a molecular weight of 446.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
PubChem CID90615637
Molecular FormulaC18H21F3N4O4S
Molecular Weight446.45 g/mol
Exact Mass446.12
IUPAC Name4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C18H21F3N4O4S/c1-24(2)30(27,28)13-5-3-12(4-6-13)17(26)22-8-9-25-15-7-10-29-11-14(15)16(23-25)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,26)
InChIKeyZGIMWHFOEADEAV-UHFFFAOYSA-N
XLogP1.65
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide (CID 90615637) is 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
The InChIKey is ZGIMWHFOEADEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O4S/c1-24(2)30(27,28)13-5-3-12(4-6-13)17(26)22-8-9-25-15-7-10-29-11-14(15)16(23-25)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide has a molecular weight of 446.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90615637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).