N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide

C29H47N3O2S — CID 75579946

IUPACN-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide
SMILESCCCCCCCCCCCCN1CCN(CC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C29H47N3O2S/c1-3-4-5-6-7-8-9-10-11-14-19-31-20-22-32(23-21-31)25-26(2)30-35(33,34)29-18-17-27-15-12-13-16-28(27)24-29/h12-13,15-18,24,26,30H,3-11,14,19-23,25H2,1-2H3
InChIKeyCFOBBUYYWXSBLK-UHFFFAOYSA-N
MW501.78 g/mol
LogP6.05
Rot. Bonds16

About N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide

N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide (PubChem CID 75579946) has the molecular formula C29H47N3O2S and a molecular weight of 501.78 g/mol. Its IUPAC name is N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide
PubChem CID75579946
Molecular FormulaC29H47N3O2S
Molecular Weight501.78 g/mol
Exact Mass501.34
IUPAC NameN-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide
SMILESCCCCCCCCCCCCN1CCN(CC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C29H47N3O2S/c1-3-4-5-6-7-8-9-10-11-14-19-31-20-22-32(23-21-31)25-26(2)30-35(33,34)29-18-17-27-15-12-13-16-28(27)24-29/h12-13,15-18,24,26,30H,3-11,14,19-23,25H2,1-2H3
InChIKeyCFOBBUYYWXSBLK-UHFFFAOYSA-N
XLogP6.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.78
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
CID 50915001
N-[1-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
CID 75580568
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
N-nonylnaphthalene-2-sulfonamide
CID 19681387
N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 42945663
(2S)-N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 36815103
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide (CID 75579946) is N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide is CCCCCCCCCCCCN1CCN(CC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is CFOBBUYYWXSBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N3O2S/c1-3-4-5-6-7-8-9-10-11-14-19-31-20-22-32(23-21-31)25-26(2)30-35(33,34)29-18-17-27-15-12-13-16-28(27)24-29/h12-13,15-18,24,26,30H,3-11,14,19-23,25H2,1-2H3.
What are the key properties of N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide?
N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 501.78 g/mol, XLogP of 6.05, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 75579946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).