4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide

C23H22FN3O4S — CID 11719465

IUPAC4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=C(Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)n1)N1CCOCC1
InChIInChI=1S/C23H22FN3O4S/c24-19-8-4-17(5-9-19)18-6-10-21(11-7-18)32(29,30)26-22-3-1-2-20(25-22)16-23(28)27-12-14-31-15-13-27/h1-11H,12-16H2,(H,25,26)
InChIKeyRMNLHQKLPVNYDE-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.09
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide

4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 11719465) has the molecular formula C23H22FN3O4S and a molecular weight of 455.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID11719465
Molecular FormulaC23H22FN3O4S
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC Name4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
SMILESO=C(Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)n1)N1CCOCC1
InChIInChI=1S/C23H22FN3O4S/c24-19-8-4-17(5-9-19)18-6-10-21(11-7-18)32(29,30)26-22-3-1-2-20(25-22)16-23(28)27-12-14-31-15-13-27/h1-11H,12-16H2,(H,25,26)
InChIKeyRMNLHQKLPVNYDE-UHFFFAOYSA-N
XLogP3.09
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 82343421
6-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 68841111
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 11294744
N-[3-[4-[[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]sulfamoyl]phenyl]phenyl]acetamide
CID 22027960
4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028078
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11455323
4-[3,5-bis(trifluoromethyl)phenyl]-N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 11490119
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 110329331
N-[6-(2-hydroxyethyl)-2-pyridinyl]-4-(4-isocyanophenyl)benzenesulfonamide
CID 59854060
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide (CID 11719465) is 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide is O=C(Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)n1)N1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is RMNLHQKLPVNYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4S/c24-19-8-4-17(5-9-19)18-6-10-21(11-7-18)32(29,30)26-22-3-1-2-20(25-22)16-23(28)27-12-14-31-15-13-27/h1-11H,12-16H2,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide?
4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 455.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 11719465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).