2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

C22H16F3N3O2S — CID 67648877

IUPAC2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nn1cccn1)c1cccc(C(F)(F)F)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)19-11-5-12-20(31(29,30)27-28-14-6-13-26-28)21(19)18-10-4-9-17(15-18)16-7-2-1-3-8-16/h1-15,27H
InChIKeyMTTHIRDHRKOARO-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.17
Rot. Bonds5

About 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 67648877) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID67648877
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC Name2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nn1cccn1)c1cccc(C(F)(F)F)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)19-11-5-12-20(31(29,30)27-28-14-6-13-26-28)21(19)18-10-4-9-17(15-18)16-7-2-1-3-8-16/h1-15,27H
InChIKeyMTTHIRDHRKOARO-UHFFFAOYSA-N
XLogP5.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Naphthalen-2-ylsulfonylpyrazole
CID 6469143
Pyrazol-1-yl 3-(4-methylphenyl)-5-(trifluoromethyl)benzenesulfinate
CID 57107377
3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide
CID 67662203
3,6-diphenyl-4-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 19041437
2-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 81625865
1-((2,4,5-trimethylphenyl)sulfonyl)-1H-pyrazole
CID 15943925
2-phenylbenzenesulfonamide;1H-pyrazole
CID 22285245
1-(1-naphthylsulfonyl)-1H-pyrazole
CID 16004555
1-(2,3,4,5,6-Pentamethylphenyl)sulfonylpyrazole
CID 19683516
1-(2,3,5,6-tetramethylbenzenesulfonyl)-1H-pyrazole
CID 19683517
N-(1H-Pyrazol-1-yl)naphthalene-1-sulfonamide
CID 135121733

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide (CID 67648877) is 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nn1cccn1)c1cccc(C(F)(F)F)c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MTTHIRDHRKOARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c23-22(24,25)19-11-5-12-20(31(29,30)27-28-14-6-13-26-28)21(19)18-10-4-9-17(15-18)16-7-2-1-3-8-16/h1-15,27H.
What are the key properties of 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide?
2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 443.45 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67648877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).