2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide

C13H14F3N3O2S — CID 4866532

IUPAC2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1
InChIInChI=1S/C13H14F3N3O2S/c1-9-3-4-10(2)12(5-9)22(20,21)18-11-6-17-19(7-11)8-13(14,15)16/h3-7,18H,8H2,1-2H3
InChIKeyZXCJJBKBDFCJMU-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.86
Rot. Bonds4

About 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide

2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 4866532) has the molecular formula C13H14F3N3O2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID4866532
Molecular FormulaC13H14F3N3O2S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC Name2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1
InChIInChI=1S/C13H14F3N3O2S/c1-9-3-4-10(2)12(5-9)22(20,21)18-11-6-17-19(7-11)8-13(14,15)16/h3-7,18H,8H2,1-2H3
InChIKeyZXCJJBKBDFCJMU-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 5258146
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 17376645
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 73168362
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide
CID 95741340
2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204580
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide
CID 75499050
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide (CID 4866532) is 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is ZXCJJBKBDFCJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2S/c1-9-3-4-10(2)12(5-9)22(20,21)18-11-6-17-19(7-11)8-13(14,15)16/h3-7,18H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide?
2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.86, 4 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-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 4866532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).