N-benzyl-N-ethylquinoline-8-sulfonamide

C18H18N2O2S — CID 5053863

IUPACN-benzyl-N-ethylquinoline-8-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O2S/c1-2-20(14-15-8-4-3-5-9-15)23(21,22)17-12-6-10-16-11-7-13-19-18(16)17/h3-13H,2,14H2,1H3
InChIKeyVCHOQOMEJUWIQT-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.45
Rot. Bonds5

About N-benzyl-N-ethylquinoline-8-sulfonamide

N-benzyl-N-ethylquinoline-8-sulfonamide (PubChem CID 5053863) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-benzyl-N-ethylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethylquinoline-8-sulfonamide
PubChem CID5053863
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-benzyl-N-ethylquinoline-8-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O2S/c1-2-20(14-15-8-4-3-5-9-15)23(21,22)17-12-6-10-16-11-7-13-19-18(16)17/h3-13H,2,14H2,1H3
InChIKeyVCHOQOMEJUWIQT-UHFFFAOYSA-N
XLogP3.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(p-Toluenesulfonylamino)quinoline
CID 82533
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
Thiazole Orange
CID 6438345
1-(Phenylsulfonyl)-1H-indole
CID 315017
8-Quinolinesulfonamide
CID 94464
8-Quinolinesulfonic acid
CID 66561
Quinoline, 8,8'-dithiobis-
CID 70876
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2-nitro-N-(quinolin-8-yl)benzenesulfonamide
CID 739449
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
N-benzenesulfonylgramine antagonist, 8
CID 11723168

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylquinoline-8-sulfonamide?
The IUPAC name of N-benzyl-N-ethylquinoline-8-sulfonamide (CID 5053863) is N-benzyl-N-ethylquinoline-8-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethylquinoline-8-sulfonamide?
The canonical SMILES for N-benzyl-N-ethylquinoline-8-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-benzyl-N-ethylquinoline-8-sulfonamide?
The InChIKey is VCHOQOMEJUWIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-20(14-15-8-4-3-5-9-15)23(21,22)17-12-6-10-16-11-7-13-19-18(16)17/h3-13H,2,14H2,1H3.
What are the key properties of N-benzyl-N-ethylquinoline-8-sulfonamide?
N-benzyl-N-ethylquinoline-8-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylquinoline-8-sulfonamide is sourced from PubChem (CID 5053863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).