N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C18H17F3N4O3S — CID 121020081

IUPACN-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N4O3S/c1-13-11-17(14-3-2-8-22-12-14)24-25(13)10-9-23-29(26,27)16-6-4-15(5-7-16)28-18(19,20)21/h2-8,11-12,23H,9-10H2,1H3
InChIKeyCWZPPYMFNZQXLT-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 121020081) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID121020081
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC NameN-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N4O3S/c1-13-11-17(14-3-2-8-22-12-14)24-25(13)10-9-23-29(26,27)16-6-4-15(5-7-16)28-18(19,20)21/h2-8,11-12,23H,9-10H2,1H3
InChIKeyCWZPPYMFNZQXLT-UHFFFAOYSA-N
XLogP3.13
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139439
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122278241
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122280926
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139744
4-iodo-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42143740
2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 86266233
N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 121077953
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 55913500
2,5-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121077960
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 86266238
4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241285
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 121020081) is N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CWZPPYMFNZQXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c1-13-11-17(14-3-2-8-22-12-14)24-25(13)10-9-23-29(26,27)16-6-4-15(5-7-16)28-18(19,20)21/h2-8,11-12,23H,9-10H2,1H3.
What are the key properties of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 426.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 121020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).