N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide

C24H29N3O2S — CID 162364683

IUPACN-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
SMILESCC(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N3O2S/c1-20(27-16-14-26(15-17-27)19-21-8-3-2-4-9-21)18-25-30(28,29)24-13-7-11-22-10-5-6-12-23(22)24/h2-13,20,25H,14-19H2,1H3
InChIKeyMKIKJHLKGLPPQT-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.32
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide

N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide (PubChem CID 162364683) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
PubChem CID162364683
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
SMILESCC(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N3O2S/c1-20(27-16-14-26(15-17-27)19-21-8-3-2-4-9-21)18-25-30(28,29)24-13-7-11-22-10-5-6-12-23(22)24/h2-13,20,25H,14-19H2,1H3
InChIKeyMKIKJHLKGLPPQT-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858315
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858314
N-benzylnaphthalene-1-sulfonamide
CID 3844256
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 10287270
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
CID 42960750
2-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 112502530
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide (CID 162364683) is N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide is CC(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide?
The InChIKey is MKIKJHLKGLPPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-20(27-16-14-26(15-17-27)19-21-8-3-2-4-9-21)18-25-30(28,29)24-13-7-11-22-10-5-6-12-23(22)24/h2-13,20,25H,14-19H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide?
N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide has a molecular weight of 423.58 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 162364683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).