N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide

C12H13F2N3O2S — CID 22209237

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C12H13F2N3O2S/c1-3-17-7-11(8(2)15-17)16-20(18,19)12-5-4-9(13)6-10(12)14/h4-7,16H,3H2,1-2H3
InChIKeyZPSLVJSXPNDLGA-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.29
Rot. Bonds4

About N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide

N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 22209237) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide
PubChem CID22209237
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C12H13F2N3O2S/c1-3-17-7-11(8(2)15-17)16-20(18,19)12-5-4-9(13)6-10(12)14/h4-7,16H,3H2,1-2H3
InChIKeyZPSLVJSXPNDLGA-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

N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22209239
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 22209225
4-ethoxy-N-(1-ethyl-3-methylpyrazol-4-yl)benzenesulfonamide
CID 22209222
N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774656
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202918

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide (CID 22209237) is N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(F)cc2F)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is ZPSLVJSXPNDLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-3-17-7-11(8(2)15-17)16-20(18,19)12-5-4-9(13)6-10(12)14/h4-7,16H,3H2,1-2H3.
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide 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-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22209237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).