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

C19H18F3N3O2S — CID 5258146

IUPAC2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H18F3N3O2S/c1-13-6-7-14(2)18(8-13)28(26,27)24-17-10-23-25(12-17)11-15-4-3-5-16(9-15)19(20,21)22/h3-10,12,24H,11H2,1-2H3
InChIKeyXQQOGJYIVXNJFR-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.37
Rot. Bonds5

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

2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 5258146) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID5258146
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC Name2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H18F3N3O2S/c1-13-6-7-14(2)18(8-13)28(26,27)24-17-10-23-25(12-17)11-15-4-3-5-16(9-15)19(20,21)22/h3-10,12,24H,11H2,1-2H3
InChIKeyXQQOGJYIVXNJFR-UHFFFAOYSA-N
XLogP4.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
CID 4866532
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4776109
2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346909
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 17376645
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
5-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 17022730
1-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344336
2-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19346927
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204580

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide (CID 5258146) is 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is XQQOGJYIVXNJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-13-6-7-14(2)18(8-13)28(26,27)24-17-10-23-25(12-17)11-15-4-3-5-16(9-15)19(20,21)22/h3-10,12,24H,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide?
2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 409.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 5258146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).