N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

C12H13F2N3O2S — CID 42282271

IUPACN-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O2S/c1-8-12(7-17(2)16-8)20(18,19)15-6-9-10(13)4-3-5-11(9)14/h3-5,7,15H,6H2,1-2H3
InChIKeyHDZLLYSGUZOKQT-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.49
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 42282271) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID42282271
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O2S/c1-8-12(7-17(2)16-8)20(18,19)15-6-9-10(13)4-3-5-11(9)14/h3-5,7,15H,6H2,1-2H3
InChIKeyHDZLLYSGUZOKQT-UHFFFAOYSA-N
XLogP1.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 42282271) is N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is HDZLLYSGUZOKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-8-12(7-17(2)16-8)20(18,19)15-6-9-10(13)4-3-5-11(9)14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).