4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide

C23H20F4N4O3S — CID 24956239

IUPAC4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C23H20F4N4O3S/c24-16-6-8-19(20(14-16)23(25,26)27)22(32)29-35(33,34)18-7-9-21(28-15-18)31-12-10-30(11-13-31)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,29,32)
InChIKeyBLEZEDWEPRFSIS-UHFFFAOYSA-N
MW508.50 g/mol
LogP3.68
Rot. Bonds5

About 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide

4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide (PubChem CID 24956239) has the molecular formula C23H20F4N4O3S and a molecular weight of 508.50 g/mol. Its IUPAC name is 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide
PubChem CID24956239
Molecular FormulaC23H20F4N4O3S
Molecular Weight508.50 g/mol
Exact Mass508.12
IUPAC Name4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C23H20F4N4O3S/c24-16-6-8-19(20(14-16)23(25,26)27)22(32)29-35(33,34)18-7-9-21(28-15-18)31-12-10-30(11-13-31)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,29,32)
InChIKeyBLEZEDWEPRFSIS-UHFFFAOYSA-N
XLogP3.68
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide
CID 24956235
N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide
CID 24998166
2-chloro-4-fluorobenzamide;6-(4-phenylpiperazin-1-yl)pyridine-3-sulfonic acid
CID 87306082
2,4-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]benzamide
CID 24997264
sodium (2-chloro-4-fluorobenzoyl)-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]azanide
CID 24956236
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 22099714
N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 137376767
4-fluoro-2-(trifluoromethyl)benzamide;6-phenoxypyridine-3-sulfonic acid
CID 87659996
N-[6-[4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 42857690
N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide
CID 11635248

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide (CID 24956239) is 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide is O=C(NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BLEZEDWEPRFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O3S/c24-16-6-8-19(20(14-16)23(25,26)27)22(32)29-35(33,34)18-7-9-21(28-15-18)31-12-10-30(11-13-31)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,29,32).
What are the key properties of 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide?
4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide has a molecular weight of 508.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 24956239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).