N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide

C22H21F4N5O2S — CID 134328909

IUPACN-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide
SMILESCc1ccc(F)cc1-c1nc(NS(=O)(=O)c2ccnc(N3CCNCC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C22H21F4N5O2S/c1-14-2-3-15(23)12-17(14)21-18(22(24,25)26)4-5-19(29-21)30-34(32,33)16-6-7-28-20(13-16)31-10-8-27-9-11-31/h2-7,12-13,27H,8-11H2,1H3,(H,29,30)
InChIKeyUYGHLVXJIARFAP-UHFFFAOYSA-N
MW495.50 g/mol
LogP3.82
Rot. Bonds5

About N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide

N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide (PubChem CID 134328909) has the molecular formula C22H21F4N5O2S and a molecular weight of 495.50 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide
PubChem CID134328909
Molecular FormulaC22H21F4N5O2S
Molecular Weight495.50 g/mol
Exact Mass495.14
IUPAC NameN-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide
SMILESCc1ccc(F)cc1-c1nc(NS(=O)(=O)c2ccnc(N3CCNCC3)c2)ccc1C(F)(F)F
InChIInChI=1S/C22H21F4N5O2S/c1-14-2-3-15(23)12-17(14)21-18(22(24,25)26)4-5-19(29-21)30-34(32,33)16-6-7-28-20(13-16)31-10-8-27-9-11-31/h2-7,12-13,27H,8-11H2,1H3,(H,29,30)
InChIKeyUYGHLVXJIARFAP-UHFFFAOYSA-N
XLogP3.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-(3-hydroxy-3-methylazetidin-1-yl)pyridine-4-sulfonamide
CID 134306826
6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344498
(3R)-1-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134308381
2-[(3R)-1-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetic acid
CID 155046831
6-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134308296
N-[6-(2-chlorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306679
4-methyl-1-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 153409730
3-[ethyl-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid
CID 154674674
6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344533
(2R)-4-[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]morpholine-2-carboxylic acid
CID 153409750
4-(2-piperazin-1-yl-4-pyridinyl)-2,8-bis(trifluoromethyl)quinoline
CID 171686339
6-(4-tert-butylpiperazin-1-yl)-N-[6-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306552

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide?
The IUPAC name of N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide (CID 134328909) is N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide?
The canonical SMILES for N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide is Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2ccnc(N3CCNCC3)c2)ccc1C(F)(F)F.
What is the InChIKey of N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide?
The InChIKey is UYGHLVXJIARFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N5O2S/c1-14-2-3-15(23)12-17(14)21-18(22(24,25)26)4-5-19(29-21)30-34(32,33)16-6-7-28-20(13-16)31-10-8-27-9-11-31/h2-7,12-13,27H,8-11H2,1H3,(H,29,30).
What are the key properties of N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide?
N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide has a molecular weight of 495.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-2-piperazin-1-ylpyridine-4-sulfonamide is sourced from PubChem (CID 134328909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).