N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide

C12H13F2N3O2S — CID 22773468

IUPACN-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1C
InChIInChI=1S/C12H13F2N3O2S/c1-3-17-8(2)12(7-15-17)20(18,19)16-9-4-5-10(13)11(14)6-9/h4-7,16H,3H2,1-2H3
InChIKeyBHGSDXUWWFIDQE-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.29
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide

N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 22773468) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID22773468
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1C
InChIInChI=1S/C12H13F2N3O2S/c1-3-17-8(2)12(7-15-17)20(18,19)16-9-4-5-10(13)11(14)6-9/h4-7,16H,3H2,1-2H3
InChIKeyBHGSDXUWWFIDQE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 46982035
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 6471033
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19684585
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22205233
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682093
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 22773468) is N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1C.
What is the InChIKey of N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is BHGSDXUWWFIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-3-17-8(2)12(7-15-17)20(18,19)16-9-4-5-10(13)11(14)6-9/h4-7,16H,3H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).