4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C22H24F3N3O3S — CID 142750349

IUPAC4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)cc2)n1C
InChIInChI=1S/C22H24F3N3O3S/c1-14(2)20-15(3)27(4)28(21(20)29)18-9-11-19(12-10-18)32(30,31)26-13-16-5-7-17(8-6-16)22(23,24)25/h5-12,14,26H,13H2,1-4H3
InChIKeySWITWBILDFJWAV-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.11
Rot. Bonds6

About 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 142750349) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID142750349
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC Name4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)cc2)n1C
InChIInChI=1S/C22H24F3N3O3S/c1-14(2)20-15(3)27(4)28(21(20)29)18-9-11-19(12-10-18)32(30,31)26-13-16-5-7-17(8-6-16)22(23,24)25/h5-12,14,26H,13H2,1-4H3
InChIKeySWITWBILDFJWAV-UHFFFAOYSA-N
XLogP4.11
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)benzenesulfonamide
CID 142750302
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 142750208
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 142750252
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
4-bromo-1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-one
CID 157022470
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
4-(4-chloro-2,3-dimethyl-5-oxopyrazol-1-yl)-N-(1H-indol-5-ylmethyl)benzenesulfonamide
CID 142750262
4-(4-bromo-2,3-dimethyl-5-oxopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 142750224
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110405212
2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151726
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 142750349) is 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)cc2)n1C.
What is the InChIKey of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SWITWBILDFJWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c1-14(2)20-15(3)27(4)28(21(20)29)18-9-11-19(12-10-18)32(30,31)26-13-16-5-7-17(8-6-16)22(23,24)25/h5-12,14,26H,13H2,1-4H3.
What are the key properties of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 467.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 142750349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).