N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide

C17H28N4O2S — CID 120848238

IUPACN-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H28N4O2S/c1-18-24(22,23)17-5-3-2-4-16(17)21-12-10-20(11-13-21)14-15-6-8-19-9-7-15/h2-5,15,18-19H,6-14H2,1H3
InChIKeyQWZJQFJLXRDZLN-UHFFFAOYSA-N
MW352.50 g/mol
LogP0.72
Rot. Bonds5

About N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide

N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 120848238) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
PubChem CID120848238
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H28N4O2S/c1-18-24(22,23)17-5-3-2-4-16(17)21-12-10-20(11-13-21)14-15-6-8-19-9-7-15/h2-5,15,18-19H,6-14H2,1H3
InChIKeyQWZJQFJLXRDZLN-UHFFFAOYSA-N
XLogP0.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 120848242
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049
N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
CID 43454625
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
N-methyl-2-[4-(4,4,4-trifluoro-2-hydroxybutyl)piperazin-1-yl]benzenesulfonamide
CID 119044725
N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine
CID 120848506
N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
CID 166406112
2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133410073
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide (CID 120848238) is N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is QWZJQFJLXRDZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-18-24(22,23)17-5-3-2-4-16(17)21-12-10-20(11-13-21)14-15-6-8-19-9-7-15/h2-5,15,18-19H,6-14H2,1H3.
What are the key properties of N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide?
N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 120848238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).