N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide

C24H26N2O4S2 — CID 20963026

IUPAC4-phenyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChIInChI=1S/C24H26N2O4S2/c1-2-17-31(27,28)26-16-6-9-21-10-13-22(18-24(21)26)25-32(29,30)23-14-11-20(12-15-23)19-7-4-3-5-8-19/h3-5,7-8,10-15,18,25H,2,6,9,16-17H2,1H3
InChIKeyVZOJAXPSTFTIGP-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.50
Rot. Bonds7

About N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide

N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide (PubChem CID 20963026) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-phenyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide
PubChem CID20963026
Molecular FormulaC24H26N2O4S2
Molecular Weight470.60 g/mol
Exact Mass470.13
IUPAC Name4-phenyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChIInChI=1S/C24H26N2O4S2/c1-2-17-31(27,28)26-16-6-9-21-10-13-22(18-24(21)26)25-32(29,30)23-14-11-20(12-15-23)19-7-4-3-5-8-19/h3-5,7-8,10-15,18,25H,2,6,9,16-17H2,1H3
InChIKeyVZOJAXPSTFTIGP-UHFFFAOYSA-N
XLogP4.50
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity804

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide with MolForge

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Related Compounds

N-{4-[4-(3-ethanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10005953
4-methyl-N-(4-{4-[3-(propane-2-sulfonylamino)-phenyl]-piperazin-1-yl}-butyl)-benzenesulfonamide
CID 10369020
N-{4-[4-(3-methanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10435294
10-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-10H-9-thia-10-aza-phenanthrene 9,9-dioxide
CID 15710746
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 16823330
Naphthalene-2-sulfonic acid [3-(4-methylpiperazin-1-yl)phenyl]amide
CID 18180076
1-Tosyl-1,2,3,4-tetrahydroquinoline
CID 726531
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-3,4-dimethylbenzene-1-sulfonamide
CID 7517548
2,5-Dimethyl-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzene-1-sulfonamide
CID 16028234
N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 18565194
(2R,4R)-4-ethenyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarbonitrile
CID 44142230
N-(5-Benzyl-5,6-dihydro-phenanthridin-3-yl)-methanesulfonamide
CID 44310289

Frequently Asked Questions

What is the IUPAC name of N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide?
The IUPAC name of N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide (CID 20963026) is 4-phenyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide?
The canonical SMILES for N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide is CCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4.
What is the InChIKey of N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide?
The InChIKey is VZOJAXPSTFTIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-2-17-31(27,28)26-16-6-9-21-10-13-22(18-24(21)26)25-32(29,30)23-14-11-20(12-15-23)19-7-4-3-5-8-19/h3-5,7-8,10-15,18,25H,2,6,9,16-17H2,1H3.
What are the key properties of N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide?
N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide has a molecular weight of 470.60 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]biphenyl-4-sulfonamide is sourced from PubChem (CID 20963026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).