N,N-bis(prop-2-enyl)quinoline-8-sulfonamide

C15H16N2O2S — CID 3546701

IUPACN,N-bis(prop-2-enyl)quinoline-8-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H16N2O2S/c1-3-11-17(12-4-2)20(18,19)14-9-5-7-13-8-6-10-16-15(13)14/h3-10H,1-2,11-12H2
InChIKeyVHOYBMNJIGZRPD-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.60
Rot. Bonds6

About N,N-bis(prop-2-enyl)quinoline-8-sulfonamide

N,N-bis(prop-2-enyl)quinoline-8-sulfonamide (PubChem CID 3546701) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)quinoline-8-sulfonamide
PubChem CID3546701
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN,N-bis(prop-2-enyl)quinoline-8-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H16N2O2S/c1-3-11-17(12-4-2)20(18,19)14-9-5-7-13-8-6-10-16-15(13)14/h3-10H,1-2,11-12H2
InChIKeyVHOYBMNJIGZRPD-UHFFFAOYSA-N
XLogP2.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 42768537
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide
CID 671601
N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
CID 23392955
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
CID 56791454
5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
CID 104850505
2-oxo-N,N-bis(prop-2-enyl)-1H-quinoline-8-sulfonamide
CID 171054438
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4666253
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)quinoline-8-sulfonamide?
The IUPAC name of N,N-bis(prop-2-enyl)quinoline-8-sulfonamide (CID 3546701) is N,N-bis(prop-2-enyl)quinoline-8-sulfonamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)quinoline-8-sulfonamide?
The canonical SMILES for N,N-bis(prop-2-enyl)quinoline-8-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N,N-bis(prop-2-enyl)quinoline-8-sulfonamide?
The InChIKey is VHOYBMNJIGZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-11-17(12-4-2)20(18,19)14-9-5-7-13-8-6-10-16-15(13)14/h3-10H,1-2,11-12H2.
What are the key properties of N,N-bis(prop-2-enyl)quinoline-8-sulfonamide?
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)quinoline-8-sulfonamide is sourced from PubChem (CID 3546701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).