3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide

C16H16N4O2S — CID 171466452

IUPAC3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide
SMILESCN(C)c1cccnc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H16N4O2S/c1-20(2)14-9-5-11-18-16(14)23(21,22)19-13-8-3-6-12-7-4-10-17-15(12)13/h3-11,19H,1-2H3
InChIKeyXCDMSPDENJGGKP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.50
Rot. Bonds4

About 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide

3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide (PubChem CID 171466452) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide
PubChem CID171466452
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide
SMILESCN(C)c1cccnc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H16N4O2S/c1-20(2)14-9-5-11-18-16(14)23(21,22)19-13-8-3-6-12-7-4-10-17-15(12)13/h3-11,19H,1-2H3
InChIKeyXCDMSPDENJGGKP-UHFFFAOYSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
N-quinolin-8-ylcyclohexanesulfonamide
CID 16759534
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide
CID 126516495
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide?
The IUPAC name of 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide (CID 171466452) is 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide is CN(C)c1cccnc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide?
The InChIKey is XCDMSPDENJGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-20(2)14-9-5-11-18-16(14)23(21,22)19-13-8-3-6-12-7-4-10-17-15(12)13/h3-11,19H,1-2H3.
What are the key properties of 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide?
3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide is sourced from PubChem (CID 171466452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).