N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide

C22H22N6O2S — CID 133277971

IUPACN-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCC(n2cccn2)CC1)c1ccccc1
InChIInChI=1S/C22H22N6O2S/c29-31(30,18-7-2-1-3-8-18)26-21-22(25-20-10-5-4-9-19(20)24-21)27-15-11-17(12-16-27)28-14-6-13-23-28/h1-10,13-14,17H,11-12,15-16H2,(H,24,26)
InChIKeyRVQZPGCGWFSPFG-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.47
Rot. Bonds5

About N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide

N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 133277971) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
PubChem CID133277971
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC NameN-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCC(n2cccn2)CC1)c1ccccc1
InChIInChI=1S/C22H22N6O2S/c29-31(30,18-7-2-1-3-8-18)26-21-22(25-20-10-5-4-9-19(20)24-21)27-15-11-17(12-16-27)28-14-6-13-23-28/h1-10,13-14,17H,11-12,15-16H2,(H,24,26)
InChIKeyRVQZPGCGWFSPFG-UHFFFAOYSA-N
XLogP3.47
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4599321
4-bromo-N-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 25037574
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272
N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 7392711
4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3700003
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
3-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 110454729
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine
CID 90039114
ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
CID 25036116
1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
CID 71648035
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3421168

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide (CID 133277971) is N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1N1CCC(n2cccn2)CC1)c1ccccc1.
What is the InChIKey of N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is RVQZPGCGWFSPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c29-31(30,18-7-2-1-3-8-18)26-21-22(25-20-10-5-4-9-19(20)24-21)27-15-11-17(12-16-27)28-14-6-13-23-28/h1-10,13-14,17H,11-12,15-16H2,(H,24,26).
What are the key properties of N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 434.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 133277971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).