N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide

C19H20FN3O2S — CID 53075803

IUPACN-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H20FN3O2S/c1-4-15-7-5-6-8-18(15)22-26(24,25)19-13(2)21-23(14(19)3)17-11-9-16(20)10-12-17/h5-12,22H,4H2,1-3H3
InChIKeySYSOVXZWKWDLIW-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.99
Rot. Bonds5

About N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide

N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 53075803) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID53075803
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H20FN3O2S/c1-4-15-7-5-6-8-18(15)22-26(24,25)19-13(2)21-23(14(19)3)17-11-9-16(20)10-12-17/h5-12,22H,4H2,1-3H3
InChIKeySYSOVXZWKWDLIW-UHFFFAOYSA-N
XLogP3.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-(3-bromophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075881
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 53075852
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773621
ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22775153
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonic acid
CID 87530789
N-(3-acetylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075839
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773683
N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773697
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 53075803) is N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide is CCc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is SYSOVXZWKWDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-4-15-7-5-6-8-18(15)22-26(24,25)19-13(2)21-23(14(19)3)17-11-9-16(20)10-12-17/h5-12,22H,4H2,1-3H3.
What are the key properties of N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide?
N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 53075803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).