N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

C15H12F3N3O2S2 — CID 3691139

IUPACN-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(-c2cccs2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O2S2/c1-21-14(9-12(19-21)13-6-3-7-24-13)20-25(22,23)11-5-2-4-10(8-11)15(16,17)18/h2-9,20H,1H3
InChIKeyMJKGNEZLZKVLSB-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.97
Rot. Bonds4

About N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3691139) has the molecular formula C15H12F3N3O2S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3691139
Molecular FormulaC15H12F3N3O2S2
Molecular Weight387.41 g/mol
Exact Mass387.03
IUPAC NameN-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(-c2cccs2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O2S2/c1-21-14(9-12(19-21)13-6-3-7-24-13)20-25(22,23)11-5-2-4-10(8-11)15(16,17)18/h2-9,20H,1H3
InChIKeyMJKGNEZLZKVLSB-UHFFFAOYSA-N
XLogP3.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Fluoro-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]benzenesulfonamide
CID 2742752
N-[1-(4-Fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2742759
1-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
N-(1-methyl-3-phenylpyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 2815264
N-(2,5-dimethylpyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3687774
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 44059151
N-(2,5-dimethylpyrazol-3-yl)-1-benzothiophene-3-sulfonamide
CID 172436702
N-(2,5-dimethylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 172438486
1-(1,1-dioxidotetrahydro-3-thienyl)-3-(2-thienyl)-1H-pyrazol-5-amine
CID 43090486
N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylphenyl)pyrazol-5-yl]-4-fluorobenzenesulfonamide
CID 42175140
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 44059111
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 44059131

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 3691139) is N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is Cn1nc(-c2cccs2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MJKGNEZLZKVLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S2/c1-21-14(9-12(19-21)13-6-3-7-24-13)20-25(22,23)11-5-2-4-10(8-11)15(16,17)18/h2-9,20H,1H3.
What are the key properties of N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 387.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3691139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).