3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide

C15H16N2O4S2 — CID 31064364

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C15H16N2O4S2/c16-22(18,19)13-7-3-8-14(11-13)23(20,21)17-10-4-6-12-5-1-2-9-15(12)17/h1-3,5,7-9,11H,4,6,10H2,(H2,16,18,19)
InChIKeyRPMCQXIEQZEQAH-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.48
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide (PubChem CID 31064364) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
PubChem CID31064364
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C15H16N2O4S2/c16-22(18,19)13-7-3-8-14(11-13)23(20,21)17-10-4-6-12-5-1-2-9-15(12)17/h1-3,5,7-9,11H,4,6,10H2,(H2,16,18,19)
InChIKeyRPMCQXIEQZEQAH-UHFFFAOYSA-N
XLogP1.48
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62266376
(2-benzamido-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 55314509
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide (CID 31064364) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
The InChIKey is RPMCQXIEQZEQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c16-22(18,19)13-7-3-8-14(11-13)23(20,21)17-10-4-6-12-5-1-2-9-15(12)17/h1-3,5,7-9,11H,4,6,10H2,(H2,16,18,19).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 1.48, 3 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)benzenesulfonamide is sourced from PubChem (CID 31064364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).