N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide

C29H29N3O4S — CID 171566033

IUPACN-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide
SMILESO=c1[nH]c2ccc(-c3ccc(C4CCN(C5COC5)CC4)cc3)cc2cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C29H29N3O4S/c33-29-28(31-37(34,35)26-4-2-1-3-5-26)17-24-16-23(10-11-27(24)30-29)21-8-6-20(7-9-21)22-12-14-32(15-13-22)25-18-36-19-25/h1-11,16-17,22,25,31H,12-15,18-19H2,(H,30,33)
InChIKeyPTSLKCWCQMGNDN-UHFFFAOYSA-N
MW515.64 g/mol
LogP4.57
Rot. Bonds6

About N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide

N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide (PubChem CID 171566033) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide
PubChem CID171566033
Molecular FormulaC29H29N3O4S
Molecular Weight515.64 g/mol
Exact Mass515.19
IUPAC NameN-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide
SMILESO=c1[nH]c2ccc(-c3ccc(C4CCN(C5COC5)CC4)cc3)cc2cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C29H29N3O4S/c33-29-28(31-37(34,35)26-4-2-1-3-5-26)17-24-16-23(10-11-27(24)30-29)21-8-6-20(7-9-21)22-12-14-32(15-13-22)25-18-36-19-25/h1-11,16-17,22,25,31H,12-15,18-19H2,(H,30,33)
InChIKeyPTSLKCWCQMGNDN-UHFFFAOYSA-N
XLogP4.57
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide 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 N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide (CID 171566033) is N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide is O=c1[nH]c2ccc(-c3ccc(C4CCN(C5COC5)CC4)cc3)cc2cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide?
The InChIKey is PTSLKCWCQMGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4S/c33-29-28(31-37(34,35)26-4-2-1-3-5-26)17-24-16-23(10-11-27(24)30-29)21-8-6-20(7-9-21)22-12-14-32(15-13-22)25-18-36-19-25/h1-11,16-17,22,25,31H,12-15,18-19H2,(H,30,33).
What are the key properties of N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide?
N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide has a molecular weight of 515.64 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-oxo-1H-quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 171566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).