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

C24H26F3N3O2S — CID 42635205

IUPACN-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-9-22(10-8-21)30-16-14-29(15-17-30)13-3-12-28-33(31,32)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,28H,3,12-17H2
InChIKeyMPZKLOSKDZETIX-UHFFFAOYSA-N
MW477.55 g/mol
LogP4.35
Rot. Bonds7

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

N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 42635205) has the molecular formula C24H26F3N3O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID42635205
Molecular FormulaC24H26F3N3O2S
Molecular Weight477.55 g/mol
Exact Mass477.17
IUPAC NameN-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-9-22(10-8-21)30-16-14-29(15-17-30)13-3-12-28-33(31,32)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,28H,3,12-17H2
InChIKeyMPZKLOSKDZETIX-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide (CID 42635205) is N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is MPZKLOSKDZETIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-9-22(10-8-21)30-16-14-29(15-17-30)13-3-12-28-33(31,32)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,28H,3,12-17H2.
What are the key properties of N-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[4-[4-(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-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42635205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).