4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

C19H17ClF3N3O3S — CID 19355233

IUPAC4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(CCCO)c(C(F)(F)F)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClF3N3O3S/c20-14-6-2-12(3-7-14)16-17(13-4-8-15(9-5-13)30(24,28)29)25-26(10-1-11-27)18(16)19(21,22)23/h2-9,27H,1,10-11H2,(H2,24,28,29)
InChIKeyFYIUFEITMCGDMA-UHFFFAOYSA-N
MW459.88 g/mol
LogP3.92
Rot. Bonds6

About 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355233) has the molecular formula C19H17ClF3N3O3S and a molecular weight of 459.88 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355233
Molecular FormulaC19H17ClF3N3O3S
Molecular Weight459.88 g/mol
Exact Mass459.06
IUPAC Name4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(CCCO)c(C(F)(F)F)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClF3N3O3S/c20-14-6-2-12(3-7-14)16-17(13-4-8-15(9-5-13)30(24,28)29)25-26(10-1-11-27)18(16)19(21,22)23/h2-9,27H,1,10-11H2,(H2,24,28,29)
InChIKeyFYIUFEITMCGDMA-UHFFFAOYSA-N
XLogP3.92
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461
1-[(4-Chlorophenyl)methyl]-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 9931633
4-(4-Chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)-1-prop-2-enylpyrazole
CID 17816755
4-(4-Chlorophenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole
CID 17816940
4-(4-Chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole
CID 17817024
4-(2,4-Dichlorophenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enyl-5-(trifluoromethyl)pyrazole
CID 17817122
2-[4-(4-Chlorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 18914497
2-[4-(2,4-Dichlorophenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 18914533
2-[4-(4-Chlorophenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 18914572
4-[4-(4-Chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19041249
4-[4-(4-Chlorophenyl)-5-(difluoromethyl)-2-phenylpyrazol-3-yl]benzenesulfonamide
CID 19041383
4-[4-(2,4-Dichlorophenyl)-1-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355218

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 19355233) is 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nn(CCCO)c(C(F)(F)F)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is FYIUFEITMCGDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O3S/c20-14-6-2-12(3-7-14)16-17(13-4-8-15(9-5-13)30(24,28)29)25-26(10-1-11-27)18(16)19(21,22)23/h2-9,27H,1,10-11H2,(H2,24,28,29).
What are the key properties of 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 459.88 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).