3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide

C21H19N3O3S — CID 25102342

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H19N3O3S/c25-21(23-20-12-3-4-13-22-20)17-8-5-10-18(15-17)28(26,27)24-14-6-9-16-7-1-2-11-19(16)24/h1-5,7-8,10-13,15H,6,9,14H2,(H,22,23,25)
InChIKeyMLRQDSXRNVMHTM-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.48
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide (PubChem CID 25102342) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
PubChem CID25102342
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H19N3O3S/c25-21(23-20-12-3-4-13-22-20)17-8-5-10-18(15-17)28(26,27)24-14-6-9-16-7-1-2-11-19(16)24/h1-5,7-8,10-13,15H,6,9,14H2,(H,22,23,25)
InChIKeyMLRQDSXRNVMHTM-UHFFFAOYSA-N
XLogP3.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719497
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide
CID 175506682
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 66762821
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55646957
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide (CID 25102342) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
The InChIKey is MLRQDSXRNVMHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-21(23-20-12-3-4-13-22-20)17-8-5-10-18(15-17)28(26,27)24-14-6-9-16-7-1-2-11-19(16)24/h1-5,7-8,10-13,15H,6,9,14H2,(H,22,23,25).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide has a molecular weight of 393.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 25102342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).