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

C15H11F3N4O2S — CID 19355660

IUPAC4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cccnc2)cc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)14-12(10-2-1-7-20-8-10)13(21-22-14)9-3-5-11(6-4-9)25(19,23)24/h1-8H,(H,21,22)(H2,19,23,24)
InChIKeySPVDEFYACVZCNC-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.80
Rot. Bonds3

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

4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355660) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID19355660
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cccnc2)cc1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)14-12(10-2-1-7-20-8-10)13(21-22-14)9-3-5-11(6-4-9)25(19,23)24/h1-8H,(H,21,22)(H2,19,23,24)
InChIKeySPVDEFYACVZCNC-UHFFFAOYSA-N
XLogP2.80
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-bromophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 159159405
4-[5-[chloro(difluoro)methyl]-4-(4-chlorophenyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355357
4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 54029186
4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10021928
[4-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]sulfonylmethyl acetate
CID 70299719
4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
CID 177458625
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
CID 18463648
3-[4-[3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]benzenethiol
CID 166490664
3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pyridine
CID 135066095
2-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 67647048
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
CID 67683899
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077

Frequently Asked Questions

What is the IUPAC name of 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 19355660) is 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cccnc2)cc1.
What is the InChIKey of 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is SPVDEFYACVZCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-15(17,18)14-12(10-2-1-7-20-8-10)13(21-22-14)9-3-5-11(6-4-9)25(19,23)24/h1-8H,(H,21,22)(H2,19,23,24).
What are the key properties of 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).