N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide

C20H20N4O3S — CID 33332472

IUPACN-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1cnc2ccccc2n1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(19-14-21-17-8-4-5-9-18(17)22-19)24-12-10-15(11-13-24)23-28(26,27)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2
InChIKeyNQZCKJDFIFLZAY-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 33332472) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID33332472
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1cnc2ccccc2n1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(19-14-21-17-8-4-5-9-18(17)22-19)24-12-10-15(11-13-24)23-28(26,27)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2
InChIKeyNQZCKJDFIFLZAY-UHFFFAOYSA-N
XLogP2.21
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55731324
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
N-[1-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162063
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787

Frequently Asked Questions

What is the IUPAC name of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 33332472) is N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide is O=C(c1cnc2ccccc2n1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is NQZCKJDFIFLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(19-14-21-17-8-4-5-9-18(17)22-19)24-12-10-15(11-13-24)23-28(26,27)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2.
What are the key properties of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33332472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).