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

C14H16F3N3O3S — CID 90588716

IUPAC2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O3S/c1-2-23-11-5-3-4-6-12(11)24(21,22)18-8-10-20-9-7-13(19-20)14(15,16)17/h3-7,9,18H,2,8,10H2,1H3
InChIKeyYMLXQNQTUWFVJT-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.28
Rot. Bonds7

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

2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90588716) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID90588716
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O3S/c1-2-23-11-5-3-4-6-12(11)24(21,22)18-8-10-20-9-7-13(19-20)14(15,16)17/h3-7,9,18H,2,8,10H2,1H3
InChIKeyYMLXQNQTUWFVJT-UHFFFAOYSA-N
XLogP2.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588714
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588718
4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588717
3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588752
4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588740
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide
CID 71808057
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588586
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
3-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
CID 62566934
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588458

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 90588716) is 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is YMLXQNQTUWFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c1-2-23-11-5-3-4-6-12(11)24(21,22)18-8-10-20-9-7-13(19-20)14(15,16)17/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 363.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90588716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).