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

C15H14N2O2S — CID 157021117

IUPACN-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide
SMILESO=S(=O)(N=C1CCc2ccccc2N1)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c18-20(19,13-7-2-1-3-8-13)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-9H,10-11H2,(H,16,17)
InChIKeyGSHTVUUKNULBIW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.83
Rot. Bonds2

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

N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide (PubChem CID 157021117) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide
PubChem CID157021117
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide
SMILESO=S(=O)(N=C1CCc2ccccc2N1)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c18-20(19,13-7-2-1-3-8-13)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-9H,10-11H2,(H,16,17)
InChIKeyGSHTVUUKNULBIW-UHFFFAOYSA-N
XLogP2.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide
CID 169450837
3-(3,4-dihydro-1H-quinolin-2-ylideneamino)propan-1-ol
CID 135407396
N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide
CID 157021116
3,4-dihydro-1H-quinolin-2-one;methanesulfonic acid
CID 21248382
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
3,4-dihydro-1H-quinoline-2-thione
CID 3037435
2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone
CID 135569930
11-N,28-N-dibenzyl-10,12,27,29-tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,13,15,17,21,23,25,30,32-dodecaene-11,28-diimine
CID 136732292
N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 13437743
3-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneamino)propanoic acid
CID 135406169
3-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneamino)propanoic acid;hydrate
CID 135478287
ethane;5,10,11,12-tetrahydrobenzo[b][1]benzazocine
CID 142101611

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide (CID 157021117) is N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide is O=S(=O)(N=C1CCc2ccccc2N1)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide?
The InChIKey is GSHTVUUKNULBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-20(19,13-7-2-1-3-8-13)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-9H,10-11H2,(H,16,17).
What are the key properties of N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide?
N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 157021117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).