N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H14F3N3O2S — CID 67668917

IUPACN-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCN(n1ccc(C(F)(F)F)n1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S/c1-22(23-12-11-16(21-23)17(18,19)20)26(24,25)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyCXRJLLBMSJBURB-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.53
Rot. Bonds4

About N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67668917) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67668917
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCN(n1ccc(C(F)(F)F)n1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S/c1-22(23-12-11-16(21-23)17(18,19)20)26(24,25)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyCXRJLLBMSJBURB-UHFFFAOYSA-N
XLogP3.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 700199
4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395070
N-[2-[1-(benzenesulfonyl)pyrazol-3-yl]-6-methylphenyl]benzenesulfonamide
CID 155558239
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
5-Benzhydryl-1-(trifluoromethylsulfonyl)pyrazole
CID 2806046
4-[5-(2'-Methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl] benzenesulfonamide
CID 23209725
1-[(2-fluorophenyl)sulfonyl]-5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole
CID 2824206
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrazole
CID 16080432
1-(4-Methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]triazole
CID 102112884
5-(4-Fluorophenyl)-4-iodo-1-(4-methylphenyl)sulfonylpyrazole
CID 164680520
3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 785585
1-(2,5-Dimethylphenyl)sulfonyl-3-methylpyrazole
CID 2143106

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67668917) is N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CN(n1ccc(C(F)(F)F)n1)S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CXRJLLBMSJBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-22(23-12-11-16(21-23)17(18,19)20)26(24,25)15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67668917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).