4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide

C24H28FN3O6S2 — CID 135331079

IUPAC4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)C2CCN(C(=O)c3cnc(OC4CCC4)c(C4CC4)c3)CC2)c(F)c1
InChIInChI=1S/C24H28FN3O6S2/c25-21-13-19(36(26,32)33)6-7-22(21)35(30,31)18-8-10-28(11-9-18)24(29)16-12-20(15-4-5-15)23(27-14-16)34-17-2-1-3-17/h6-7,12-15,17-18H,1-5,8-11H2,(H2,26,32,33)
InChIKeyOHJCFUHWDONOCM-UHFFFAOYSA-N
MW537.64 g/mol
LogP2.76
Rot. Bonds7

About 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide

4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide (PubChem CID 135331079) has the molecular formula C24H28FN3O6S2 and a molecular weight of 537.64 g/mol. Its IUPAC name is 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide
PubChem CID135331079
Molecular FormulaC24H28FN3O6S2
Molecular Weight537.64 g/mol
Exact Mass537.14
IUPAC Name4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)C2CCN(C(=O)c3cnc(OC4CCC4)c(C4CC4)c3)CC2)c(F)c1
InChIInChI=1S/C24H28FN3O6S2/c25-21-13-19(36(26,32)33)6-7-22(21)35(30,31)18-8-10-28(11-9-18)24(29)16-12-20(15-4-5-15)23(27-14-16)34-17-2-1-3-17/h6-7,12-15,17-18H,1-5,8-11H2,(H2,26,32,33)
InChIKeyOHJCFUHWDONOCM-UHFFFAOYSA-N
XLogP2.76
TPSA136.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.64
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide with MolForge

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Related Compounds

US11059794, Example 6.18
CID 135331219
US11059794, Example 6.34
CID 149209576
US11098048, Example 1.02
CID 118394070
US9802944, Example 2
CID 118394093
6-{[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]oxy}pyridine-3-carboxamide
CID 91904367
(6-Cyclobutyloxypyridin-3-yl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25255595
5-fluoro-N-[4-[(2-methylphenyl)sulfonylamino]cyclohexyl]-2-(thian-4-yloxy)pyridine-3-carboxamide
CID 58689293
5-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]-2-(thian-4-yloxy)pyridine-3-carboxamide
CID 58689298
(6-Cyclobutyloxy-4-methylsulfonylpyridin-3-yl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447277
(4-Cyclopropyloxy-2-methylsulfonylphenyl)-[4-[2-[5-(trifluoromethyl)pyridin-3-yl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447410
6-(2,2,2-trifluoroethoxy)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]pyridine-3-carboxamide
CID 88932974
[3-[[3-Fluoro-5-(trifluoromethyl)phenyl]sulfonylmethyl]azetidin-1-yl]-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone
CID 88949381

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide (CID 135331079) is 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)C2CCN(C(=O)c3cnc(OC4CCC4)c(C4CC4)c3)CC2)c(F)c1.
What is the InChIKey of 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide?
The InChIKey is OHJCFUHWDONOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O6S2/c25-21-13-19(36(26,32)33)6-7-22(21)35(30,31)18-8-10-28(11-9-18)24(29)16-12-20(15-4-5-15)23(27-14-16)34-17-2-1-3-17/h6-7,12-15,17-18H,1-5,8-11H2,(H2,26,32,33).
What are the key properties of 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide?
4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide has a molecular weight of 537.64 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-cyclobutyloxy-5-cyclopropylpyridine-3-carbonyl)piperidin-4-yl]sulfonyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 135331079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).