(Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate

C24H17F3N3O3S- — CID 172676023

IUPAC(Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)/N=C(\[O-])c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18F3N3O3S/c1-16-7-9-17(10-8-16)21-15-22(24(25,26)27)28-30(21)19-11-13-20(14-12-19)34(32,33)29-23(31)18-5-3-2-4-6-18/h2-15H,1H3,(H,29,31)/p-1
InChIKeyPZQZSXWDWNEQFT-UHFFFAOYSA-M
MW484.48 g/mol
LogP4.36
Rot. Bonds5

About (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate

(Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate (PubChem CID 172676023) has the molecular formula C24H17F3N3O3S- and a molecular weight of 484.48 g/mol. Its IUPAC name is (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate.

Molecular Properties

Compound Name(Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate
PubChem CID172676023
Molecular FormulaC24H17F3N3O3S-
Molecular Weight484.48 g/mol
Exact Mass484.09
IUPAC Name(Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)/N=C(\[O-])c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18F3N3O3S/c1-16-7-9-17(10-8-16)21-15-22(24(25,26)27)28-30(21)19-11-13-20(14-12-19)34(32,33)29-23(31)18-5-3-2-4-6-18/h2-15H,1H3,(H,29,31)/p-1
InChIKeyPZQZSXWDWNEQFT-UHFFFAOYSA-M
XLogP4.36
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 56833773
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
CID 10364984
[1-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonyl-3-(trifluoromethylsulfanyl)azetidin-3-yl]-phenylmethanone
CID 176730429
5-(4-methylphenyl)-1-[4-(2-methylpropylsulfonyl)phenyl]-3-(trifluoromethyl)pyrazole
CID 167541244
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;1-phenylbutan-2-one
CID 174437411
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpropanamide
CID 10094605
but-3-enoic acid;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 174591748
(2R)-2-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]oxypropanoic acid
CID 24754915
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
5-(4-methylphenyl)-1-[4-[3-phenyl-3-(trifluoromethylsulfanyl)azetidin-1-yl]sulfonylphenyl]-3-(trifluoromethyl)pyrazole
CID 176730430

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate?
The IUPAC name of (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate (CID 172676023) is (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate.
What is the SMILES notation for (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate?
The canonical SMILES for (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)/N=C(\[O-])c3ccccc3)cc2)cc1.
What is the InChIKey of (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate?
The InChIKey is PZQZSXWDWNEQFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H18F3N3O3S/c1-16-7-9-17(10-8-16)21-15-22(24(25,26)27)28-30(21)19-11-13-20(14-12-19)34(32,33)29-23(31)18-5-3-2-4-6-18/h2-15H,1H3,(H,29,31)/p-1.
What are the key properties of (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate?
(Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate has a molecular weight of 484.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylbenzenecarboximidate is sourced from PubChem (CID 172676023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).