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

C24H28N4O3S — CID 4236121

IUPACN-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nc1
InChIInChI=1S/C24H28N4O3S/c1-3-28(21-7-5-4-6-8-21)32(29,30)23-13-14-24(25-19-23)27-17-15-26(16-18-27)20-9-11-22(31-2)12-10-20/h4-14,19H,3,15-18H2,1-2H3
InChIKeyTXGWQMGTUPKTLU-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.63
Rot. Bonds7

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

N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 4236121) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID4236121
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nc1
InChIInChI=1S/C24H28N4O3S/c1-3-28(21-7-5-4-6-8-21)32(29,30)23-13-14-24(25-19-23)27-17-15-26(16-18-27)20-9-11-22(31-2)12-10-20/h4-14,19H,3,15-18H2,1-2H3
InChIKeyTXGWQMGTUPKTLU-UHFFFAOYSA-N
XLogP3.63
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide;hydrochloride
CID 11983308
Urea deriv. 24
CID 5329830
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 53328423
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
1-((2,5-Dimethoxyphenyl)sulfonyl)-4-(2-pyridyl)piperazine
CID 1091562
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
N-(4-phenoxyphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 1315467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide (CID 4236121) is N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is TXGWQMGTUPKTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-28(21-7-5-4-6-8-21)32(29,30)23-13-14-24(25-19-23)27-17-15-26(16-18-27)20-9-11-22(31-2)12-10-20/h4-14,19H,3,15-18H2,1-2H3.
What are the key properties of N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 4236121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).