N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide

C22H29FN4O4S — CID 118526949

IUPACN-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCN(C(=O)C(C)O)CC2)nc1
InChIInChI=1S/C22H29FN4O4S/c1-16(2)15-27(19-6-4-18(23)5-7-19)32(30,31)20-8-9-21(24-14-20)25-10-12-26(13-11-25)22(29)17(3)28/h4-9,14,16-17,28H,10-13,15H2,1-3H3
InChIKeyDWBXEOYJVRLGKA-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.10
Rot. Bonds7

About N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide

N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 118526949) has the molecular formula C22H29FN4O4S and a molecular weight of 464.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID118526949
Molecular FormulaC22H29FN4O4S
Molecular Weight464.56 g/mol
Exact Mass464.19
IUPAC NameN-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCN(C(=O)C(C)O)CC2)nc1
InChIInChI=1S/C22H29FN4O4S/c1-16(2)15-27(19-6-4-18(23)5-7-19)32(30,31)20-8-9-21(24-14-20)25-10-12-26(13-11-25)22(29)17(3)28/h4-9,14,16-17,28H,10-13,15H2,1-3H3
InChIKeyDWBXEOYJVRLGKA-UHFFFAOYSA-N
XLogP2.10
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-6-[(3-hydroxy-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 118526852
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
N-(4-fluorophenyl)-N-(2-methylpropyl)-6-[(1-methylsulfonylazetidin-3-yl)methylamino]pyridine-3-sulfonamide
CID 118526850
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
4-fluoro-N-[1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 110497991
N-ethyl-6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 52694397
2-hydroxy-1-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propan-1-one
CID 133452004
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483
methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate
CID 126480845
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide (CID 118526949) is N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide is CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCN(C(=O)C(C)O)CC2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is DWBXEOYJVRLGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S/c1-16(2)15-27(19-6-4-18(23)5-7-19)32(30,31)20-8-9-21(24-14-20)25-10-12-26(13-11-25)22(29)17(3)28/h4-9,14,16-17,28H,10-13,15H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide?
N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 464.56 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[4-(2-hydroxypropanoyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 118526949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).