N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide

C18H16N2O3S — CID 60515386

IUPACN-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-18(16-10-11-19-17-9-5-4-8-15(16)17)20-12-13-24(22,23)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,21)
InChIKeyBJJGLLJDAFDMRR-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide

N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide (PubChem CID 60515386) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
PubChem CID60515386
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-18(16-10-11-19-17-9-5-4-8-15(16)17)20-12-13-24(22,23)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,21)
InChIKeyBJJGLLJDAFDMRR-UHFFFAOYSA-N
XLogP2.44
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-[2-(benzenesulfonyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51123416
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
N-(4-azidobutyl)quinoline-4-carboxamide
CID 106386810
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide (CID 60515386) is N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide is O=C(NCCS(=O)(=O)c1ccccc1)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide?
The InChIKey is BJJGLLJDAFDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-18(16-10-11-19-17-9-5-4-8-15(16)17)20-12-13-24(22,23)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,21).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide?
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 60515386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).