6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

C16H11F4N3O2S — CID 22415426

IUPAC6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccc(F)cc2)ccc(-c2ccn[nH]2)c1C(F)(F)F
InChIInChI=1S/C16H11F4N3O2S/c17-10-3-1-9(2-4-10)11-5-6-12(13-7-8-22-23-13)14(16(18,19)20)15(11)26(21,24)25/h1-8H,(H,22,23)(H2,21,24,25)
InChIKeyQNJRWQBRKFSSPD-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.55
Rot. Bonds3

About 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 22415426) has the molecular formula C16H11F4N3O2S and a molecular weight of 385.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID22415426
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34 g/mol
Exact Mass385.05
IUPAC Name6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2ccc(F)cc2)ccc(-c2ccn[nH]2)c1C(F)(F)F
InChIInChI=1S/C16H11F4N3O2S/c17-10-3-1-9(2-4-10)11-5-6-12(13-7-8-22-23-13)14(16(18,19)20)15(11)26(21,24)25/h1-8H,(H,22,23)(H2,21,24,25)
InChIKeyQNJRWQBRKFSSPD-UHFFFAOYSA-N
XLogP3.55
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
N-(1H-indazol-6-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16280260
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
(1R,8R)-11-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 73355023
N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 17446157
(1R,8R)-12-(trifluoromethyl)-15-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 73348986
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
1-(3,4-difluorophenyl)sulfonyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 42431305
2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062850
N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 47092052
N-(2,5-difluorophenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792309
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792316

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 22415426) is 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(-c2ccc(F)cc2)ccc(-c2ccn[nH]2)c1C(F)(F)F.
What is the InChIKey of 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QNJRWQBRKFSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2S/c17-10-3-1-9(2-4-10)11-5-6-12(13-7-8-22-23-13)14(16(18,19)20)15(11)26(21,24)25/h1-8H,(H,22,23)(H2,21,24,25).
What are the key properties of 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22415426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).