1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

C12H12F3N3O3S — CID 22203297

IUPAC1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O3S/c1-8-11(7-18(2)16-8)22(19,20)17-9-3-5-10(6-4-9)21-12(13,14)15/h3-7,17H,1-2H3
InChIKeyPPUGQEJNBWJXGG-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.43
Rot. Bonds4

About 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (PubChem CID 22203297) has the molecular formula C12H12F3N3O3S and a molecular weight of 335.31 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
PubChem CID22203297
Molecular FormulaC12H12F3N3O3S
Molecular Weight335.31 g/mol
Exact Mass335.06
IUPAC Name1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O3S/c1-8-11(7-18(2)16-8)22(19,20)17-9-3-5-10(6-4-9)21-12(13,14)15/h3-7,17H,1-2H3
InChIKeyPPUGQEJNBWJXGG-UHFFFAOYSA-N
XLogP2.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (CID 22203297) is 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The InChIKey is PPUGQEJNBWJXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S/c1-8-11(7-18(2)16-8)22(19,20)17-9-3-5-10(6-4-9)21-12(13,14)15/h3-7,17H,1-2H3.
What are the key properties of 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide has a molecular weight of 335.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22203297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).