N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide

C13H16FN3O2S — CID 119056252

IUPACN-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1F
InChIInChI=1S/C13H16FN3O2S/c1-4-17-13(14)12(8-15-17)20(18,19)16-11-6-5-9(2)10(3)7-11/h5-8,16H,4H2,1-3H3
InChIKeyBYJHGISQHFXPMU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.46
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide

N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide (PubChem CID 119056252) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide
PubChem CID119056252
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1F
InChIInChI=1S/C13H16FN3O2S/c1-4-17-13(14)12(8-15-17)20(18,19)16-11-6-5-9(2)10(3)7-11/h5-8,16H,4H2,1-3H3
InChIKeyBYJHGISQHFXPMU-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6465101
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
1,3-dimethyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 6469799
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
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-[4-(propan-2-yl)phenyl]-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 6624952
N-(3-ethylphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 16022101

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide (CID 119056252) is N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1F.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide?
The InChIKey is BYJHGISQHFXPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-4-17-13(14)12(8-15-17)20(18,19)16-11-6-5-9(2)10(3)7-11/h5-8,16H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide?
N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-ethyl-5-fluoropyrazole-4-sulfonamide is sourced from PubChem (CID 119056252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).