3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide

C22H23F3N4O3S — CID 55502941

IUPAC3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H23F3N4O3S/c1-4-28(5-2)33(31,32)19-11-6-8-16(13-19)21(30)26-20-12-15(3)27-29(20)18-10-7-9-17(14-18)22(23,24)25/h6-14H,4-5H2,1-3H3,(H,26,30)
InChIKeyYEQPQNKZGSQFAJ-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.48
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide

3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide (PubChem CID 55502941) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
PubChem CID55502941
Molecular FormulaC22H23F3N4O3S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC Name3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H23F3N4O3S/c1-4-28(5-2)33(31,32)19-11-6-8-16(13-19)21(30)26-20-12-15(3)27-29(20)18-10-7-9-17(14-18)22(23,24)25/h6-14H,4-5H2,1-3H3,(H,26,30)
InChIKeyYEQPQNKZGSQFAJ-UHFFFAOYSA-N
XLogP4.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 2330110
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 78883780
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 55481157
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55503618
1-(benzenesulfonyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 55502873
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55548337
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 55871877
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide (CID 55502941) is 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The InChIKey is YEQPQNKZGSQFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c1-4-28(5-2)33(31,32)19-11-6-8-16(13-19)21(30)26-20-12-15(3)27-29(20)18-10-7-9-17(14-18)22(23,24)25/h6-14H,4-5H2,1-3H3,(H,26,30).
What are the key properties of 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide has a molecular weight of 480.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 55502941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).