N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide

C14H18F2N4O2S — CID 71986994

IUPACN-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1cnn(C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N4O2S/c1-3-20(11-4-5-13(15)14(16)8-11)7-6-18-23(21,22)12-9-17-19(2)10-12/h4-5,8-10,18H,3,6-7H2,1-2H3
InChIKeyASSURKACAIFFGJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.50
Rot. Bonds7

About N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71986994) has the molecular formula C14H18F2N4O2S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71986994
Molecular FormulaC14H18F2N4O2S
Molecular Weight344.39 g/mol
Exact Mass344.11
IUPAC NameN-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1cnn(C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N4O2S/c1-3-20(11-4-5-13(15)14(16)8-11)7-6-18-23(21,22)12-9-17-19(2)10-12/h4-5,8-10,18H,3,6-7H2,1-2H3
InChIKeyASSURKACAIFFGJ-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6467959
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
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
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide (CID 71986994) is N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide is CCN(CCNS(=O)(=O)c1cnn(C)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ASSURKACAIFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2S/c1-3-20(11-4-5-13(15)14(16)8-11)7-6-18-23(21,22)12-9-17-19(2)10-12/h4-5,8-10,18H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71986994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).