N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide

C22H19N3O2S — CID 174601275

IUPACN,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C22H19N3O2S/c1-25(2)28(26,27)19-12-18(14-23-15-19)17-8-9-22-21(13-17)20(10-11-24-22)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyLMNBWSHDDFKUTH-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.21
Rot. Bonds4

About N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide

N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide (PubChem CID 174601275) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide
PubChem CID174601275
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccccc4)c3c2)c1
InChIInChI=1S/C22H19N3O2S/c1-25(2)28(26,27)19-12-18(14-23-15-19)17-8-9-22-21(13-17)20(10-11-24-22)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyLMNBWSHDDFKUTH-UHFFFAOYSA-N
XLogP4.21
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide (CID 174601275) is N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccccc4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide?
The InChIKey is LMNBWSHDDFKUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-25(2)28(26,27)19-12-18(14-23-15-19)17-8-9-22-21(13-17)20(10-11-24-22)16-6-4-3-5-7-16/h3-15H,1-2H3.
What are the key properties of N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide?
N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-phenylquinolin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 174601275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).