N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide

C12H12F3N3O2S — CID 31912918

IUPACN-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H12F3N3O2S/c1-2-18-8-10(7-16-18)17-21(19,20)11-5-3-4-9(6-11)12(13,14)15/h3-8,17H,2H2,1H3
InChIKeyHVMWCVQUZSYXMG-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.72
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 31912918) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID31912918
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C12H12F3N3O2S/c1-2-18-8-10(7-16-18)17-21(19,20)11-5-3-4-9(6-11)12(13,14)15/h3-8,17H,2H2,1H3
InChIKeyHVMWCVQUZSYXMG-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 31912918) is N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide is CCn1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HVMWCVQUZSYXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-2-18-8-10(7-16-18)17-21(19,20)11-5-3-4-9(6-11)12(13,14)15/h3-8,17H,2H2,1H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 31912918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).