N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide

C22H21N3O3S — CID 156602199

IUPACN-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide
SMILESO=C(NC1CC2CC1CN2S(=O)(=O)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C22H21N3O3S/c26-22(16-6-2-1-3-7-16)24-19-13-18-12-17(19)14-25(18)29(27,28)20-10-4-8-15-9-5-11-23-21(15)20/h1-11,17-19H,12-14H2,(H,24,26)
InChIKeyGJGWJWJGQINCFZ-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.82
Rot. Bonds4

About N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide

N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide (PubChem CID 156602199) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide
PubChem CID156602199
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide
SMILESO=C(NC1CC2CC1CN2S(=O)(=O)c1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C22H21N3O3S/c26-22(16-6-2-1-3-7-16)24-19-13-18-12-17(19)14-25(18)29(27,28)20-10-4-8-15-9-5-11-23-21(15)20/h1-11,17-19H,12-14H2,(H,24,26)
InChIKeyGJGWJWJGQINCFZ-UHFFFAOYSA-N
XLogP2.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
5-quinolin-8-ylsulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122245258
1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide
CID 126900938
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
N-benzhydryl-1-(3-chlorobenzoyl)-4-quinolin-8-ylsulfonylpiperazine-2-carboxamide
CID 67012608
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 126947951
8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
CID 90567332
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146754
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230

Frequently Asked Questions

What is the IUPAC name of N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide?
The IUPAC name of N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide (CID 156602199) is N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide.
What is the SMILES notation for N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide?
The canonical SMILES for N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide is O=C(NC1CC2CC1CN2S(=O)(=O)c1cccc2cccnc12)c1ccccc1.
What is the InChIKey of N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide?
The InChIKey is GJGWJWJGQINCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-22(16-6-2-1-3-7-16)24-19-13-18-12-17(19)14-25(18)29(27,28)20-10-4-8-15-9-5-11-23-21(15)20/h1-11,17-19H,12-14H2,(H,24,26).
What are the key properties of N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide?
N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide is sourced from PubChem (CID 156602199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).