5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide

C28H29F3N4O6S2 — CID 46229391

IUPAC5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C28H29F3N4O6S2/c29-28(30,31)24-8-7-23(42(37,38)22-4-2-1-3-5-22)18-25(24)43(39,40)33-21-10-12-35(13-11-21)27(36)20-6-9-26(32-19-20)34-14-16-41-17-15-34/h1-9,18-19,21,33H,10-17H2
InChIKeyAERQFFVIPCVLOX-UHFFFAOYSA-N
MW638.69 g/mol
LogP3.35
Rot. Bonds7

About 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide

5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 46229391) has the molecular formula C28H29F3N4O6S2 and a molecular weight of 638.69 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID46229391
Molecular FormulaC28H29F3N4O6S2
Molecular Weight638.69 g/mol
Exact Mass638.15
IUPAC Name5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C28H29F3N4O6S2/c29-28(30,31)24-8-7-23(42(37,38)22-4-2-1-3-5-22)18-25(24)43(39,40)33-21-10-12-35(13-11-21)27(36)20-6-9-26(32-19-20)34-14-16-41-17-15-34/h1-9,18-19,21,33H,10-17H2
InChIKeyAERQFFVIPCVLOX-UHFFFAOYSA-N
XLogP3.35
TPSA125.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-(1-{[6-(Dimethylamino)pyridin-3-yl]carbonyl}piperidin-4-yl)-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 46200961
N-(1-Isonicotinoylpiperidin-4-yl)-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 46229366
5-(Phenylsulfonyl)-2-(trifluoromethyl)-N-(1-{[6-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)benzenesulfonamide
CID 46229389
5-(Phenylsulfonyl)-N-{1-[(6-pyrrolidin-1-ylpyridin-3-yl)carbonyl]piperidin-4-yl}-2-(trifluoromethyl)benzenesulfonamide
CID 46229390
4-(morpholinosulfonyl)-N-(3-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)propyl)benzamide
CID 44059851
[4-(1,1-Dioxo-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 172440278
[4-(1,1-Dioxo-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 172464223
N-(oxolan-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 46084559
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-[(6-morpholin-4-ylpyridin-3-yl)sulfamoyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11848125
4-{5-[(4-{[4-(Trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]-2-pyridinyl}morpholine
CID 26112102
5-(benzenesulfonyl)-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430678
5-(benzenesulfonyl)-N-[1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 57452089

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 46229391) is 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is O=C(c1ccc(N2CCOCC2)nc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AERQFFVIPCVLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O6S2/c29-28(30,31)24-8-7-23(42(37,38)22-4-2-1-3-5-22)18-25(24)43(39,40)33-21-10-12-35(13-11-21)27(36)20-6-9-26(32-19-20)34-14-16-41-17-15-34/h1-9,18-19,21,33H,10-17H2.
What are the key properties of 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 638.69 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46229391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).