N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide

C18H24N4O3S — CID 17492386

IUPACN,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H24N4O3S/c1-3-21(4-2)26(24,25)22-13-11-20(12-14-22)18(23)17-10-9-15-7-5-6-8-16(15)19-17/h5-10H,3-4,11-14H2,1-2H3
InChIKeyPUFJZZKTBMLWRZ-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.58
Rot. Bonds5

About N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide

N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide (PubChem CID 17492386) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
PubChem CID17492386
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H24N4O3S/c1-3-21(4-2)26(24,25)22-13-11-20(12-14-22)18(23)17-10-9-15-7-5-6-8-16(15)19-17/h5-10H,3-4,11-14H2,1-2H3
InChIKeyPUFJZZKTBMLWRZ-UHFFFAOYSA-N
XLogP1.58
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
CID 24584448
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
CID 2608459
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9150779
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 47078827
4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 41469728

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide (CID 17492386) is N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide?
The InChIKey is PUFJZZKTBMLWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-21(4-2)26(24,25)22-13-11-20(12-14-22)18(23)17-10-9-15-7-5-6-8-16(15)19-17/h5-10H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide?
N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 17492386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).