2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

C25H21Cl2N3O3S — CID 18366778

IUPAC2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
SMILESN#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)ccc32)cc1
InChIInChI=1S/C25H21Cl2N3O3S/c26-20-8-10-22(27)24(15-20)34(32,33)29-21-9-11-23-19(14-21)2-1-13-30(23)25(31)12-7-17-3-5-18(16-28)6-4-17/h3-6,8-11,14-15,29H,1-2,7,12-13H2
InChIKeyWZMMAEGBXVJQLP-UHFFFAOYSA-N
MW514.43 g/mol
LogP5.58
Rot. Bonds6

About 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide (PubChem CID 18366778) has the molecular formula C25H21Cl2N3O3S and a molecular weight of 514.43 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
PubChem CID18366778
Molecular FormulaC25H21Cl2N3O3S
Molecular Weight514.43 g/mol
Exact Mass513.07
IUPAC Name2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
SMILESN#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)ccc32)cc1
InChIInChI=1S/C25H21Cl2N3O3S/c26-20-8-10-22(27)24(15-20)34(32,33)29-21-9-11-23-19(14-21)2-1-13-30(23)25(31)12-7-17-3-5-18(16-28)6-4-17/h3-6,8-11,14-15,29H,1-2,7,12-13H2
InChIKeyWZMMAEGBXVJQLP-UHFFFAOYSA-N
XLogP5.58
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.43
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 18367176
N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide
CID 18366918
4-[3-[6-(benzylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzonitrile
CID 15410779
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163
4-[3-oxo-3-[6-[(2,4,6-trimethylphenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide
CID 18366878
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
4-[3-oxo-3-[6-[(2,4,6-trimethylphenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide;hydroiodide
CID 18366877
2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 3841445
4-[2-[3-[(2,5-dichlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688791
4-[3-oxo-3-[6-(propan-2-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide;hydrochloride
CID 18367148

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide (CID 18366778) is 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide is N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)ccc32)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
The InChIKey is WZMMAEGBXVJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3S/c26-20-8-10-22(27)24(15-20)34(32,33)29-21-9-11-23-19(14-21)2-1-13-30(23)25(31)12-7-17-3-5-18(16-28)6-4-17/h3-6,8-11,14-15,29H,1-2,7,12-13H2.
What are the key properties of 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide?
2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide has a molecular weight of 514.43 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 18366778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).