4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide

C20H20FN5O3S — CID 34345375

IUPAC4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc(-n2ccnc2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN5O3S/c21-16-2-4-18(5-3-16)30(28,29)24-17-7-10-25(11-8-17)20(27)15-1-6-19(23-13-15)26-12-9-22-14-26/h1-6,9,12-14,17,24H,7-8,10-11H2
InChIKeyLKYHGDKPMZSBOI-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.99
Rot. Bonds5

About 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 34345375) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID34345375
Molecular FormulaC20H20FN5O3S
Molecular Weight429.48 g/mol
Exact Mass429.13
IUPAC Name4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc(-n2ccnc2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FN5O3S/c21-16-2-4-18(5-3-16)30(28,29)24-17-7-10-25(11-8-17)20(27)15-1-6-19(23-13-15)26-12-9-22-14-26/h1-6,9,12-14,17,24H,7-8,10-11H2
InChIKeyLKYHGDKPMZSBOI-UHFFFAOYSA-N
XLogP1.99
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 38814852
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325
(6-imidazol-1-yl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33018433

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 34345375) is 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide is O=C(c1ccc(-n2ccnc2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is LKYHGDKPMZSBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c21-16-2-4-18(5-3-16)30(28,29)24-17-7-10-25(11-8-17)20(27)15-1-6-19(23-13-15)26-12-9-22-14-26/h1-6,9,12-14,17,24H,7-8,10-11H2.
What are the key properties of 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 429.48 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 34345375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).