6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide

C15H11FN4O2S — CID 123642194

IUPAC6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2=c3ncccc3=CC(F)C2)cn1
InChIInChI=1S/C15H11FN4O2S/c16-11-6-10-2-1-5-18-15(10)14(7-11)20-23(21,22)13-4-3-12(8-17)19-9-13/h1-6,9,11,20H,7H2
InChIKeyMTKOALPEFMHFGO-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.04
Rot. Bonds3

About 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide

6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide (PubChem CID 123642194) has the molecular formula C15H11FN4O2S and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide
PubChem CID123642194
Molecular FormulaC15H11FN4O2S
Molecular Weight330.34 g/mol
Exact Mass330.06
IUPAC Name6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2=c3ncccc3=CC(F)C2)cn1
InChIInChI=1S/C15H11FN4O2S/c16-11-6-10-2-1-5-18-15(10)14(7-11)20-23(21,22)13-4-3-12(8-17)19-9-13/h1-6,9,11,20H,7H2
InChIKeyMTKOALPEFMHFGO-UHFFFAOYSA-N
XLogP-0.04
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-[2-(2,2-Dicyanovinyl)pyrrolyl]benzenesulfonamide
CID 801718
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 674996
3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2432838
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3244281
2-Methylpyridine-3-sulfonamide
CID 22409057
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CID 4296455
4-(3-Fluoroanilino)-3-pyridinesulfonamide
CID 819347
4-Cyano-N-(2-pyridin-4-yl-ethyl)-benzenesulfonamide
CID 1460128

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide (CID 123642194) is 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2=c3ncccc3=CC(F)C2)cn1.
What is the InChIKey of 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide?
The InChIKey is MTKOALPEFMHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S/c16-11-6-10-2-1-5-18-15(10)14(7-11)20-23(21,22)13-4-3-12(8-17)19-9-13/h1-6,9,11,20H,7H2.
What are the key properties of 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide?
6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide has a molecular weight of 330.34 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 123642194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).