4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide

C17H22N4O2S — CID 11949980

IUPAC4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-15-6-5-9-17(18-15)19-24(22,23)21-12-10-20(11-13-21)14-16-7-3-2-4-8-16/h2-9H,10-14H2,1H3,(H,18,19)
InChIKeyFJYRTAJUKBWFAA-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.86
Rot. Bonds5

About 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide

4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide (PubChem CID 11949980) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide
PubChem CID11949980
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2S/c1-15-6-5-9-17(18-15)19-24(22,23)21-12-10-20(11-13-21)14-16-7-3-2-4-8-16/h2-9H,10-14H2,1H3,(H,18,19)
InChIKeyFJYRTAJUKBWFAA-UHFFFAOYSA-N
XLogP1.86
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[(3-iodophenyl)methylsulfonyl]piperazine
CID 71699058
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 29382416
4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 113228639
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775
1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 71903213
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
(6S)-1-benzyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-6-ol
CID 97285618
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
N-(1-benzylpiperidin-4-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 52907438
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
The IUPAC name of 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide (CID 11949980) is 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide is Cc1cccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
The InChIKey is FJYRTAJUKBWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-15-6-5-9-17(18-15)19-24(22,23)21-12-10-20(11-13-21)14-16-7-3-2-4-8-16/h2-9H,10-14H2,1H3,(H,18,19).
What are the key properties of 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide is sourced from PubChem (CID 11949980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).