N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide

C24H28N2O2S — CID 168832226

IUPACN-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O2S/c27-29(28,24-12-11-21-9-4-5-10-23(21)19-24)25-15-6-16-26-17-13-22(14-18-26)20-7-2-1-3-8-20/h1-5,7-12,19,22,25H,6,13-18H2
InChIKeyHGLHFIUWUZONOW-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.39
Rot. Bonds7

About N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide

N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide (PubChem CID 168832226) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
PubChem CID168832226
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O2S/c27-29(28,24-12-11-21-9-4-5-10-23(21)19-24)25-15-6-16-26-17-13-22(14-18-26)20-7-2-1-3-8-20/h1-5,7-12,19,22,25H,6,13-18H2
InChIKeyHGLHFIUWUZONOW-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]naphthalene-2-sulfonamide
CID 19045660
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 42389457
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
CID 55663765
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide
CID 21091967
3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 141081625
N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978974
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide (CID 168832226) is N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
The InChIKey is HGLHFIUWUZONOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c27-29(28,24-12-11-21-9-4-5-10-23(21)19-24)25-15-6-16-26-17-13-22(14-18-26)20-7-2-1-3-8-20/h1-5,7-12,19,22,25H,6,13-18H2.
What are the key properties of N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide?
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide has a molecular weight of 408.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 168832226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).