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

C16H13F3N4O2S — CID 10110427

IUPAC4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)15-9-14(10-1-3-11(20)4-2-10)23(22-15)12-5-7-13(8-6-12)26(21,24)25/h1-9H,20H2,(H2,21,24,25)
InChIKeyUEDYWDJWTZVWJX-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.79
Rot. Bonds3

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

4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10110427) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10110427
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)15-9-14(10-1-3-11(20)4-2-10)23(22-15)12-5-7-13(8-6-12)26(21,24)25/h1-9H,20H2,(H2,21,24,25)
InChIKeyUEDYWDJWTZVWJX-UHFFFAOYSA-N
XLogP2.79
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Celecoxib
CID 2662
4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 9865808
Mavacoxib
CID 9843089
5-(4-Fluorophenyl)-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole
CID 115239
2,5-Dimethylcelecoxib
CID 11545682
SC-558
CID 1396
TPRC3 Channel Inhibitor III, Pyr10
CID 53475435
1-(3-(5-Phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl)propyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 52951990
4-Desmethyl-2-methyl Celecoxib
CID 10156660
4-(3-Trifluoromethyl-4H-thiochromeno[4,3-c]pyrazol-1-yl)-benzenesulfonamide
CID 15345559
Desmethyl Celecoxib
CID 6426663
4-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9800211

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10110427) is 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is UEDYWDJWTZVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)15-9-14(10-1-3-11(20)4-2-10)23(22-15)12-5-7-13(8-6-12)26(21,24)25/h1-9H,20H2,(H2,21,24,25).
What are the key properties of 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 382.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10110427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).