N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide

C24H26F3N3O2S — CID 42635204

IUPACN-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-3-8-22(18-21)30-15-13-29(14-16-30)12-4-11-28-33(31,32)23-10-9-19-5-1-2-6-20(19)17-23/h1-3,5-10,17-18,28H,4,11-16H2
InChIKeyPVIMMAOWNLCQJD-UHFFFAOYSA-N
MW477.55 g/mol
LogP4.35
Rot. Bonds7

About N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide

N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 42635204) has the molecular formula C24H26F3N3O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID42635204
Molecular FormulaC24H26F3N3O2S
Molecular Weight477.55 g/mol
Exact Mass477.17
IUPAC NameN-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-3-8-22(18-21)30-15-13-29(14-16-30)12-4-11-28-33(31,32)23-10-9-19-5-1-2-6-20(19)17-23/h1-3,5-10,17-18,28H,4,11-16H2
InChIKeyPVIMMAOWNLCQJD-UHFFFAOYSA-N
XLogP4.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 54.35
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

Fananserin
CID 60785
3-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 15710740
4-(4-Piperazin-1-ylnaphthalen-1-yl)sulfonylaniline;hydrochloride
CID 45263161
N-(Cyclohexylmethyl)-N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232622
N-(Cyclohexylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 46232653
1-[(3,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 786037
4-(2-Methylphenyl)-1-(2-naphthylsulfonyl)piperazine
CID 6468408
2-[3-(4-Phenyl-1-piperazinyl)propyl]naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580032
2-{3-[4-(2-Fluorophenyl)-1-piperazinyl]propyl)naphtho[1,8-cd]isothiazole 1,1dioxide
CID 15710728
2-(3-[4-(3-Fluorophenyl)-1-piperazinyl]propyl}naphtho[1,8cd]isothiazole 1,1-dioxide
CID 15710729
N-(1-benzylidene-3-(2-(dimethylamino)ethyl)-2-methyl-1H-inden-5-yl)naphthalene-2-sulfonamide
CID 16718826
Naphthalene-2-sulfonic acid [3-(4-methylpiperazin-1-yl)phenyl]amide
CID 18180076

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide (CID 42635204) is N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is PVIMMAOWNLCQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-3-8-22(18-21)30-15-13-29(14-16-30)12-4-11-28-33(31,32)23-10-9-19-5-1-2-6-20(19)17-23/h1-3,5-10,17-18,28H,4,11-16H2.
What are the key properties of N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 477.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42635204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).