3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

C14H16F3N3O2S — CID 42282470

IUPAC3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-9(2)20-8-13(10(3)18-20)23(21,22)19-12-7-5-4-6-11(12)14(15,16)17/h4-9,19H,1-3H3
InChIKeyHPETWBARFDSNBD-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.59
Rot. Bonds4

About 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 42282470) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID42282470
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-9(2)20-8-13(10(3)18-20)23(21,22)19-12-7-5-4-6-11(12)14(15,16)17/h4-9,19H,1-3H3
InChIKeyHPETWBARFDSNBD-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-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

N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282516
3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282564
3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283900
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (CID 42282470) is 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is HPETWBARFDSNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-9(2)20-8-13(10(3)18-20)23(21,22)19-12-7-5-4-6-11(12)14(15,16)17/h4-9,19H,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 347.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 42282470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).