N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

C22H23N3O3S — CID 2946654

IUPACN-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESCC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C22H23N3O3S/c1-16-11-14-25(15-12-16)22(26)18-7-9-19(10-8-18)24-29(27,28)20-6-2-4-17-5-3-13-23-21(17)20/h2-10,13,16,24H,11-12,14-15H2,1H3
InChIKeyCDKCFQOBDRTWOI-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.91
Rot. Bonds4

About N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 2946654) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID2946654
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESCC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C22H23N3O3S/c1-16-11-14-25(15-12-16)22(26)18-7-9-19(10-8-18)24-29(27,28)20-6-2-4-17-5-3-13-23-21(17)20/h2-10,13,16,24H,11-12,14-15H2,1H3
InChIKeyCDKCFQOBDRTWOI-UHFFFAOYSA-N
XLogP3.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (CID 2946654) is N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is CDKCFQOBDRTWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-11-14-25(15-12-16)22(26)18-7-9-19(10-8-18)24-29(27,28)20-6-2-4-17-5-3-13-23-21(17)20/h2-10,13,16,24H,11-12,14-15H2,1H3.
What are the key properties of N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 2946654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).