5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide

C20H26FN5O4S — CID 50828223

IUPAC5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H26FN5O4S/c1-30-12-2-7-23-20(27)15-13-18(19(24-14-15)26-10-8-22-9-11-26)25-31(28,29)17-5-3-16(21)4-6-17/h3-6,13-14,22,25H,2,7-12H2,1H3,(H,23,27)
InChIKeyPHRXBSBHGPOZCG-UHFFFAOYSA-N
MW451.52 g/mol
LogP1.20
Rot. Bonds9

About 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide

5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 50828223) has the molecular formula C20H26FN5O4S and a molecular weight of 451.52 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID50828223
Molecular FormulaC20H26FN5O4S
Molecular Weight451.52 g/mol
Exact Mass451.17
IUPAC Name5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H26FN5O4S/c1-30-12-2-7-23-20(27)15-13-18(19(24-14-15)26-10-8-22-9-11-26)25-31(28,29)17-5-3-16(21)4-6-17/h3-6,13-14,22,25H,2,7-12H2,1H3,(H,23,27)
InChIKeyPHRXBSBHGPOZCG-UHFFFAOYSA-N
XLogP1.20
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108262
4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide
CID 50828224
N-butan-2-yl-5-[(3,4-dimethylphenyl)sulfonylamino]-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828246
3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)-4-piperazin-1-ylbenzamide
CID 46333677
5-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide
CID 46379661
3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059374
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
5-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146062449
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146059410
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056795
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide (CID 50828223) is 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide is COCCCNC(=O)c1cnc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is PHRXBSBHGPOZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O4S/c1-30-12-2-7-23-20(27)15-13-18(19(24-14-15)26-10-8-22-9-11-26)25-31(28,29)17-5-3-16(21)4-6-17/h3-6,13-14,22,25H,2,7-12H2,1H3,(H,23,27).
What are the key properties of 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide?
5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 50828223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).