N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide

C23H19F3N4O4S2 — CID 67736115

IUPACN-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H19F3N4O4S2/c1-28-36(33,34)19-13-7-15(8-14-19)20-21(16-9-11-18(12-10-16)35(27,31)32)30(17-5-3-2-4-6-17)29-22(20)23(24,25)26/h2-14,28H,1H3,(H2,27,31,32)
InChIKeyMUJALFOOECVFQQ-UHFFFAOYSA-N
MW536.56 g/mol
LogP3.78
Rot. Bonds6

About N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide

N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 67736115) has the molecular formula C23H19F3N4O4S2 and a molecular weight of 536.56 g/mol. Its IUPAC name is N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID67736115
Molecular FormulaC23H19F3N4O4S2
Molecular Weight536.56 g/mol
Exact Mass536.08
IUPAC NameN-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H19F3N4O4S2/c1-28-36(33,34)19-13-7-15(8-14-19)20-21(16-9-11-18(12-10-16)35(27,31)32)30(17-5-3-2-4-6-17)29-22(20)23(24,25)26/h2-14,28H,1H3,(H2,27,31,32)
InChIKeyMUJALFOOECVFQQ-UHFFFAOYSA-N
XLogP3.78
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.56
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Celecoxib
CID 2662
Mavacoxib
CID 9843089
2,5-Dimethylcelecoxib
CID 11545682
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
Desmethyl Celecoxib
CID 6426663
4-[2-(4-Fluoro-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-benzenesulfonamide
CID 9800270
4-[5-(4-Dimethylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9822818
4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9841276
4-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 9885354
4-[5-(4-Ethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9908677

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide (CID 67736115) is N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MUJALFOOECVFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O4S2/c1-28-36(33,34)19-13-7-15(8-14-19)20-21(16-9-11-18(12-10-16)35(27,31)32)30(17-5-3-2-4-6-17)29-22(20)23(24,25)26/h2-14,28H,1H3,(H2,27,31,32).
What are the key properties of N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 536.56 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67736115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).