1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

C13H14F3N3O3S — CID 71688373

IUPAC1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O3S/c1-9(2)19-8-12(7-17-19)23(20,21)18-10-3-5-11(6-4-10)22-13(14,15)16/h3-9,18H,1-2H3
InChIKeyUJMJJWAFDDTESL-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.16
Rot. Bonds5

About 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (PubChem CID 71688373) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
PubChem CID71688373
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O3S/c1-9(2)19-8-12(7-17-19)23(20,21)18-10-3-5-11(6-4-10)22-13(14,15)16/h3-9,18H,1-2H3
InChIKeyUJMJJWAFDDTESL-UHFFFAOYSA-N
XLogP3.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90557396
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (CID 71688373) is 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The InChIKey is UJMJJWAFDDTESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-9(2)19-8-12(7-17-19)23(20,21)18-10-3-5-11(6-4-10)22-13(14,15)16/h3-9,18H,1-2H3.
What are the key properties of 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide has a molecular weight of 349.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71688373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).