4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide

C26H32FN3O6S2 — CID 149209576

IUPAC4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)CCC2CCN(C(=O)c3cnc(OCC4CC4)c(C4CC4)c3)CC2)c(F)c1
InChIInChI=1S/C26H32FN3O6S2/c27-23-14-21(38(28,34)35)5-6-24(23)37(32,33)12-9-17-7-10-30(11-8-17)26(31)20-13-22(19-3-4-19)25(29-15-20)36-16-18-1-2-18/h5-6,13-15,17-19H,1-4,7-12,16H2,(H2,28,34,35)
InChIKeyXGHTXOLGJNRNKS-UHFFFAOYSA-N
MW565.69 g/mol
LogP3.25
Rot. Bonds10

About 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide

4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide (PubChem CID 149209576) has the molecular formula C26H32FN3O6S2 and a molecular weight of 565.69 g/mol. Its IUPAC name is 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide
PubChem CID149209576
Molecular FormulaC26H32FN3O6S2
Molecular Weight565.69 g/mol
Exact Mass565.17
IUPAC Name4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)CCC2CCN(C(=O)c3cnc(OCC4CC4)c(C4CC4)c3)CC2)c(F)c1
InChIInChI=1S/C26H32FN3O6S2/c27-23-14-21(38(28,34)35)5-6-24(23)37(32,33)12-9-17-7-10-30(11-8-17)26(31)20-13-22(19-3-4-19)25(29-15-20)36-16-18-1-2-18/h5-6,13-15,17-19H,1-4,7-12,16H2,(H2,28,34,35)
InChIKeyXGHTXOLGJNRNKS-UHFFFAOYSA-N
XLogP3.25
TPSA136.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11059794, Example 6.18
CID 135331219
US11059794, Example 6.23
CID 135331079
US10023592, Example 322
CID 118021385
US11098048, Example 1.02
CID 118394070
US9802944, Example 2
CID 118394093
(6-Cyclobutyloxypyridin-3-yl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25255595
(6-Cyclobutyloxy-4-methylsulfonylpyridin-3-yl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447277
[3-[[3-Fluoro-5-(trifluoromethyl)phenyl]sulfonylmethyl]azetidin-1-yl]-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone
CID 88949381
1-(2-Fluoro-4-sulfamoylphenyl)-2-[1-[6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]ethanesulfinate
CID 156573075
(2,4-difluorophenyl)-[1-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carbonyl]piperidin-4-yl]methanone
CID 165122936
(2,4-Difluorophenyl)-[1-(5-methylsulfonyl-2-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 170406729
3-Fluoro-4-[2-[1-[6-(1,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]benzenesulfonamide
CID 175400875

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide (CID 149209576) is 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)CCC2CCN(C(=O)c3cnc(OCC4CC4)c(C4CC4)c3)CC2)c(F)c1.
What is the InChIKey of 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide?
The InChIKey is XGHTXOLGJNRNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O6S2/c27-23-14-21(38(28,34)35)5-6-24(23)37(32,33)12-9-17-7-10-30(11-8-17)26(31)20-13-22(19-3-4-19)25(29-15-20)36-16-18-1-2-18/h5-6,13-15,17-19H,1-4,7-12,16H2,(H2,28,34,35).
What are the key properties of 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide?
4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide has a molecular weight of 565.69 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-3-carbonyl]piperidin-4-yl]ethylsulfonyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 149209576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).