N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide

C21H26N6O2S — CID 71867437

IUPACN-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3nccn3C)CC2)nc1
InChIInChI=1S/C21H26N6O2S/c1-3-27(18-7-5-4-6-8-18)30(28,29)19-9-10-20(23-17-19)25-13-15-26(16-14-25)21-22-11-12-24(21)2/h4-12,17H,3,13-16H2,1-2H3
InChIKeyNAQMXOBDAYWRSQ-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.36
Rot. Bonds6

About N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 71867437) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID71867437
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC NameN-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3nccn3C)CC2)nc1
InChIInChI=1S/C21H26N6O2S/c1-3-27(18-7-5-4-6-8-18)30(28,29)19-9-10-20(23-17-19)25-13-15-26(16-14-25)21-22-11-12-24(21)2/h4-12,17H,3,13-16H2,1-2H3
InChIKeyNAQMXOBDAYWRSQ-UHFFFAOYSA-N
XLogP2.36
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 60504570
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
N-ethyl-6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 52694397
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
N-ethyl-6-[2-(furan-2-yl)morpholin-4-yl]-N-phenylpyridine-3-sulfonamide
CID 133347267
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 4877422
N,N-diethyl-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 24525934
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide (CID 71867437) is N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3nccn3C)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is NAQMXOBDAYWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-3-27(18-7-5-4-6-8-18)30(28,29)19-9-10-20(23-17-19)25-13-15-26(16-14-25)21-22-11-12-24(21)2/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 426.55 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 71867437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).