4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide

C19H27F2N3O5S2 — CID 162365501

IUPAC4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
InChIInChI=1S/C19H27F2N3O5S2/c1-22(2)30(26,27)16-5-7-17(8-6-16)31(28,29)24-11-3-4-15(14-24)18(25)23-12-9-19(20,21)10-13-23/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m1/s1
InChIKeyUMYYDMIENCQOAF-OAHLLOKOSA-N
MW479.57 g/mol
LogP1.60
Rot. Bonds5

About 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide

4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide (PubChem CID 162365501) has the molecular formula C19H27F2N3O5S2 and a molecular weight of 479.57 g/mol. Its IUPAC name is 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
PubChem CID162365501
Molecular FormulaC19H27F2N3O5S2
Molecular Weight479.57 g/mol
Exact Mass479.14
IUPAC Name4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1
InChIInChI=1S/C19H27F2N3O5S2/c1-22(2)30(26,27)16-5-7-17(8-6-16)31(28,29)24-11-3-4-15(14-24)18(25)23-12-9-19(20,21)10-13-23/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m1/s1
InChIKeyUMYYDMIENCQOAF-OAHLLOKOSA-N
XLogP1.60
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide (CID 162365501) is 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1.
What is the InChIKey of 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
The InChIKey is UMYYDMIENCQOAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27F2N3O5S2/c1-22(2)30(26,27)16-5-7-17(8-6-16)31(28,29)24-11-3-4-15(14-24)18(25)23-12-9-19(20,21)10-13-23/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide?
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide has a molecular weight of 479.57 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 162365501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).