N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide

C24H23N3O3S — CID 154934395

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(-c4cccnc4)cc3)cc21
InChIInChI=1S/C24H23N3O3S/c28-24(19-5-6-19)27-14-2-4-18-7-10-21(15-23(18)27)26-31(29,30)22-11-8-17(9-12-22)20-3-1-13-25-16-20/h1,3,7-13,15-16,19,26H,2,4-6,14H2
InChIKeyCFTHSLWUGOXBRU-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.24
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide (PubChem CID 154934395) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide
PubChem CID154934395
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(-c4cccnc4)cc3)cc21
InChIInChI=1S/C24H23N3O3S/c28-24(19-5-6-19)27-14-2-4-18-7-10-21(15-23(18)27)26-31(29,30)22-11-8-17(9-12-22)20-3-1-13-25-16-20/h1,3,7-13,15-16,19,26H,2,4-6,14H2
InChIKeyCFTHSLWUGOXBRU-UHFFFAOYSA-N
XLogP4.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-isoquinolin-5-ylpiperidine-4-carboxamide
CID 29371674
4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide
CID 134817546
N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309863
N-(4-propan-2-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 12098912
N-[4-(Propan-2-YL)phenyl]-1-(quinoline-8-sulfonyl)piperidine-3-carboxamide
CID 16010011
1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714838
1-(4-methylphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714841
N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isonicotinamide
CID 45573449
Cyclopropanesulfonic acid [(R)-4-(1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide
CID 71538741
(1R)-N-(5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 146477924
(1R)-2-[4-[[(3R)-piperidin-3-yl]methylsulfamoyl]phenyl]-N-[4-(trifluoromethyl)isoquinolin-6-yl]cyclopropane-1-carboxamide
CID 165437007
(1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 142446862

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide (CID 154934395) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide is O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(-c4cccnc4)cc3)cc21.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide?
The InChIKey is CFTHSLWUGOXBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c28-24(19-5-6-19)27-14-2-4-18-7-10-21(15-23(18)27)26-31(29,30)22-11-8-17(9-12-22)20-3-1-13-25-16-20/h1,3,7-13,15-16,19,26H,2,4-6,14H2.
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 154934395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).