N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

C15H11F3N4O2S — CID 23224498

IUPACN-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)13-12(10-6-8-19-9-7-10)14(21-20-13)22-25(23,24)11-4-2-1-3-5-11/h1-9H,(H2,20,21,22)
InChIKeyNTUYFTBBLWGZRD-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.29
Rot. Bonds4

About N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 23224498) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID23224498
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC NameN-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)13-12(10-6-8-19-9-7-10)14(21-20-13)22-25(23,24)11-4-2-1-3-5-11/h1-9H,(H2,20,21,22)
InChIKeyNTUYFTBBLWGZRD-UHFFFAOYSA-N
XLogP3.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 23224498) is N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1ccncc1)c1ccccc1.
What is the InChIKey of N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is NTUYFTBBLWGZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-15(17,18)13-12(10-6-8-19-9-7-10)14(21-20-13)22-25(23,24)11-4-2-1-3-5-11/h1-9H,(H2,20,21,22).
What are the key properties of N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 23224498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).