4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C14H10F3N5O2S — CID 22315585

IUPAC4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cnccn2)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)13-7-12(11-8-19-5-6-20-11)22(21-13)9-1-3-10(4-2-9)25(18,23)24/h1-8H,(H2,18,23,24)
InChIKeyOMTRQQBYDURLET-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.00
Rot. Bonds3

About 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315585) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315585
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC Name4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cnccn2)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)13-7-12(11-8-19-5-6-20-11)22(21-13)9-1-3-10(4-2-9)25(18,23)24/h1-8H,(H2,18,23,24)
InChIKeyOMTRQQBYDURLET-UHFFFAOYSA-N
XLogP2.00
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10021928
4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315448
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
4-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10201726
4-[5-(4-hydroxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135848006
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139199317
4-[5-[4-(2-iodo-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70099025
4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10403773
4-[5-(2-propan-2-yl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78325069
4-[5-[3-fluoro-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315604
4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10096122

Frequently Asked Questions

What is the IUPAC name of 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315585) is 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cnccn2)cc1.
What is the InChIKey of 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OMTRQQBYDURLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-14(16,17)13-7-12(11-8-19-5-6-20-11)22(21-13)9-1-3-10(4-2-9)25(18,23)24/h1-8H,(H2,18,23,24).
What are the key properties of 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 369.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).