N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C24H25F2N3O4S — CID 78427765

IUPACN-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CCC(F)F)CC1
InChIInChI=1S/C24H25F2N3O4S/c25-21(26)10-11-24(31)12-15-29(16-13-24)23(30)18-6-8-19(9-7-18)28-34(32,33)20-5-1-3-17-4-2-14-27-22(17)20/h1-9,14,21,28,31H,10-13,15-16H2
InChIKeyYMOLZRSAGDBPFP-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.05
Rot. Bonds7

About N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 78427765) has the molecular formula C24H25F2N3O4S and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID78427765
Molecular FormulaC24H25F2N3O4S
Molecular Weight489.54 g/mol
Exact Mass489.15
IUPAC NameN-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CCC(F)F)CC1
InChIInChI=1S/C24H25F2N3O4S/c25-21(26)10-11-24(31)12-15-29(16-13-24)23(30)18-6-8-19(9-7-18)28-34(32,33)20-5-1-3-17-4-2-14-27-22(17)20/h1-9,14,21,28,31H,10-13,15-16H2
InChIKeyYMOLZRSAGDBPFP-UHFFFAOYSA-N
XLogP4.05
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 78427765) is N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CCC(F)F)CC1.
What is the InChIKey of N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is YMOLZRSAGDBPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4S/c25-21(26)10-11-24(31)12-15-29(16-13-24)23(30)18-6-8-19(9-7-18)28-34(32,33)20-5-1-3-17-4-2-14-27-22(17)20/h1-9,14,21,28,31H,10-13,15-16H2.
What are the key properties of N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 489.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,3-difluoropropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 78427765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).