N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide

C16H13F3N4O2S — CID 90286007

IUPACN-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3N4O2S/c1-11-6-8-20-15(10-11)23-14(7-9-21-23)22-26(24,25)13-4-2-12(3-5-13)16(17,18)19/h2-10,22H,1H3
InChIKeyWZBBAWGHQYOPER-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90286007) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90286007
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC NameN-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3N4O2S/c1-11-6-8-20-15(10-11)23-14(7-9-21-23)22-26(24,25)13-4-2-12(3-5-13)16(17,18)19/h2-10,22H,1H3
InChIKeyWZBBAWGHQYOPER-UHFFFAOYSA-N
XLogP3.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
Gsk8612
CID 137553174
N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 447297
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
4-Chloro-N-(2-pyridin-2-yl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 90285421
4-[2-[[5-(Trifluoromethyl)pyridin-2-yl]amino]ethyl]benzenesulfonamide
CID 2537673
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
5-Methanesulfonyl-2-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 9947370
2-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 9968215
2-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10110609
6-(4-cyano-3-(difluoromethyl)-5-((cis)-3,5-dimethylpiperidin-1-yl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 10112226
{4-[2-(5-Methanesulfonyl-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-dimethyl-amine
CID 10136249

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 90286007) is N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide is Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WZBBAWGHQYOPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-11-6-8-20-15(10-11)23-14(7-9-21-23)22-26(24,25)13-4-2-12(3-5-13)16(17,18)19/h2-10,22H,1H3.
What are the key properties of N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 382.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90286007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).