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

C12H12F3N3O2S — CID 1508669

IUPAC1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCC1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F)C
InChIInChI=1S/C12H12F3N3O2S/c1-8-11(7-18(2)16-8)21(19,20)17-10-5-3-9(4-6-10)12(13,14)15/h3-7,17H,1-2H3
InChIKeyBQMTVYXCLKUQMN-UHFFFAOYSA-N
MW319.30 g/mol
LogP2.00
Rot. Bonds3

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

1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 1508669) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID1508669
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.30 g/mol
Exact Mass319.06
IUPAC Name1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCC1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F)C
InChIInChI=1S/C12H12F3N3O2S/c1-8-11(7-18(2)16-8)21(19,20)17-10-5-3-9(4-6-10)12(13,14)15/h3-7,17H,1-2H3
InChIKeyBQMTVYXCLKUQMN-UHFFFAOYSA-N
XLogP2.00
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity455

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1510476
N-(3-chloro-4-methylphenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6465101
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-4-methylbenzenesulfonohydrazide
CID 6874488
4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10135355
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
4-(1-Methyl-1H-pyrazol-3-yl)-phenylamine
CID 18526375
1,3-dimethyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 6469799
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
N-(2,4-dimethylphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914791

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 1508669) is 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is CC1=NN(C=C1S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F)C.
What is the InChIKey of 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BQMTVYXCLKUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-8-11(7-18(2)16-8)21(19,20)17-10-5-3-9(4-6-10)12(13,14)15/h3-7,17H,1-2H3.
What are the key properties of 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 319.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 1508669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).