N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C18H16F3N3O2S — CID 23209734

IUPACN-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-2-13-8-10-14(11-9-13)16-12-17(18(19,20)21)22-24(16)23-27(25,26)15-6-4-3-5-7-15/h3-12,23H,2H2,1H3
InChIKeyRNNXPBPHRSNYAV-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.06
Rot. Bonds5

About N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23209734) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23209734
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC NameN-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-2-13-8-10-14(11-9-13)16-12-17(18(19,20)21)22-24(16)23-27(25,26)15-6-4-3-5-7-15/h3-12,23H,2H2,1H3
InChIKeyRNNXPBPHRSNYAV-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209774
N-[5-[4-[ethyl(methyl)amino]-3-fluorophenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662239
N-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209661
N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209775
benzenesulfonamide;N-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67614064
N-[5-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209729
N-[5-(4-chlorophenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209750
N-[5-(4-chloro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67648503
N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 67662408
N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580508
N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215722
N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580493

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 23209734) is N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CCc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is RNNXPBPHRSNYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-2-13-8-10-14(11-9-13)16-12-17(18(19,20)21)22-24(16)23-27(25,26)15-6-4-3-5-7-15/h3-12,23H,2H2,1H3.
What are the key properties of N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).