N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C13H15F2N3O2S — CID 51699026

IUPACN-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C13H15F2N3O2S/c1-4-18-9(3)13(8(2)16-18)21(19,20)17-12-7-10(14)5-6-11(12)15/h5-7,17H,4H2,1-3H3
InChIKeyRNZHMWYNMTXLRG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.60
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 51699026) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID51699026
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C13H15F2N3O2S/c1-4-18-9(3)13(8(2)16-18)21(19,20)17-12-7-10(14)5-6-11(12)15/h5-7,17H,4H2,1-3H3
InChIKeyRNZHMWYNMTXLRG-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 706169
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-sulfonic acid
CID 2281151
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 804168
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 12263075
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
N-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 1090946

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 51699026) is N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1C.
What is the InChIKey of N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is RNZHMWYNMTXLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-4-18-9(3)13(8(2)16-18)21(19,20)17-12-7-10(14)5-6-11(12)15/h5-7,17H,4H2,1-3H3.
What are the key properties of N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51699026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).