1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide

C13H14F3N3O3S — CID 136572184

IUPAC1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3S/c1-8-7-17-19(2)12(8)23(21,22)18-10-5-3-4-9(6-10)11(20)13(14,15)16/h3-7,11,18,20H,1-2H3
InChIKeyGUULWQFPMSSNTO-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.13
Rot. Bonds4

About 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide

1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide (PubChem CID 136572184) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide
PubChem CID136572184
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1cccc(C(O)C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3S/c1-8-7-17-19(2)12(8)23(21,22)18-10-5-3-4-9(6-10)11(20)13(14,15)16/h3-7,11,18,20H,1-2H3
InChIKeyGUULWQFPMSSNTO-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169373356
N-(1,4-dimethylpyrazol-5-yl)sulfonyl-2-(2-methylphenyl)propanamide
CID 154869040
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
CID 22774102
N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
CID 25046021
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide?
The IUPAC name of 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide (CID 136572184) is 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide.
What is the SMILES notation for 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide?
The canonical SMILES for 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide is Cc1cnn(C)c1S(=O)(=O)Nc1cccc(C(O)C(F)(F)F)c1.
What is the InChIKey of 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide?
The InChIKey is GUULWQFPMSSNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-8-7-17-19(2)12(8)23(21,22)18-10-5-3-4-9(6-10)11(20)13(14,15)16/h3-7,11,18,20H,1-2H3.
What are the key properties of 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide?
1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrazole-5-sulfonamide is sourced from PubChem (CID 136572184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).