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

C13H11F6N3O2S — CID 90588752

IUPAC3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F6N3O2S/c14-12(15,16)9-2-1-3-10(8-9)25(23,24)20-5-7-22-6-4-11(21-22)13(17,18)19/h1-4,6,8,20H,5,7H2
InChIKeyMGALYVFCMCSDFM-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.90
Rot. Bonds5

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

3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90588752) has the molecular formula C13H11F6N3O2S and a molecular weight of 387.31 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID90588752
Molecular FormulaC13H11F6N3O2S
Molecular Weight387.31 g/mol
Exact Mass387.05
IUPAC Name3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F6N3O2S/c14-12(15,16)9-2-1-3-10(8-9)25(23,24)20-5-7-22-6-4-11(21-22)13(17,18)19/h1-4,6,8,20H,5,7H2
InChIKeyMGALYVFCMCSDFM-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588740
4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588717
2,4,5-trimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588714
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588716
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide
CID 71808057
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588718
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 90588752) is 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is MGALYVFCMCSDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3O2S/c14-12(15,16)9-2-1-3-10(8-9)25(23,24)20-5-7-22-6-4-11(21-22)13(17,18)19/h1-4,6,8,20H,5,7H2.
What are the key properties of 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 387.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90588752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).