4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide

C23H22ClFN4O4S — CID 24955870

IUPAC4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H22ClFN4O4S/c1-33-21-14-16(24)2-8-20(21)23(30)27-34(31,32)19-7-9-22(26-15-19)29-12-10-28(11-13-29)18-5-3-17(25)4-6-18/h2-9,14-15H,10-13H2,1H3,(H,27,30)
InChIKeyMFRKYJBLYYXNQN-UHFFFAOYSA-N
MW504.97 g/mol
LogP3.33
Rot. Bonds6

About 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide

4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide (PubChem CID 24955870) has the molecular formula C23H22ClFN4O4S and a molecular weight of 504.97 g/mol. Its IUPAC name is 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide
PubChem CID24955870
Molecular FormulaC23H22ClFN4O4S
Molecular Weight504.97 g/mol
Exact Mass504.10
IUPAC Name4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H22ClFN4O4S/c1-33-21-14-16(24)2-8-20(21)23(30)27-34(31,32)19-7-9-22(26-15-19)29-12-10-28(11-13-29)18-5-3-17(25)4-6-18/h2-9,14-15H,10-13H2,1H3,(H,27,30)
InChIKeyMFRKYJBLYYXNQN-UHFFFAOYSA-N
XLogP3.33
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.97
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-{4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]benzyl}benzenesulfonamide
CID 3241872
[2-[(4-Chlorophenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7974889
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 3903325
2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 15999732
6-[4-(4-chlorophenoxy)piperidin-1-yl]-N,N-dimethyl-5-(4-propanoylanilino)pyridine-3-sulfonamide
CID 164627228
N-(4-ethoxyphenyl)-4-fluoro-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 3239411
N-(5-chloro-2-pyridinyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 39753725
2-methoxy-N-phenyl-5-[(2-pyridinylamino)sulfonyl]benzamide
CID 6473515
5-chloro-2-methoxy-N-[[4-(pyrimidin-2-ylsulfamoyl)anilino]methyl]benzamide
CID 44392001
4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
CID 118733965
4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 118733968
4-[(4Z)-2-(4-chlorophenyl)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]imidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
CID 118733971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide (CID 24955870) is 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide?
The InChIKey is MFRKYJBLYYXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O4S/c1-33-21-14-16(24)2-8-20(21)23(30)27-34(31,32)19-7-9-22(26-15-19)29-12-10-28(11-13-29)18-5-3-17(25)4-6-18/h2-9,14-15H,10-13H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide?
4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide has a molecular weight of 504.97 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]-2-methoxybenzamide is sourced from PubChem (CID 24955870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).