3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide

C14H16FN3O3S — CID 19931861

IUPAC3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide
SMILESCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(C)C)cc1F
InChIInChI=1S/C14H16FN3O3S/c1-9-6-5-7-10(2)12(9)22(20,21)13-11(15)8-18(16-13)14(19)17(3)4/h5-8H,1-4H3
InChIKeyCNKGYIRGXFXGTH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds2

About 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide

3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide (PubChem CID 19931861) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide
PubChem CID19931861
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide
SMILESCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(C)C)cc1F
InChIInChI=1S/C14H16FN3O3S/c1-9-6-5-7-10(2)12(9)22(20,21)13-11(15)8-18(16-13)14(19)17(3)4/h5-8H,1-4H3
InChIKeyCNKGYIRGXFXGTH-UHFFFAOYSA-N
XLogP2.00
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide?
The IUPAC name of 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide (CID 19931861) is 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide is Cc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(C)C)cc1F.
What is the InChIKey of 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide?
The InChIKey is CNKGYIRGXFXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-9-6-5-7-10(2)12(9)22(20,21)13-11(15)8-18(16-13)14(19)17(3)4/h5-8H,1-4H3.
What are the key properties of 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide?
3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 19931861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).