N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide

C23H25Cl2N3O2S — CID 42635387

IUPACN-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25Cl2N3O2S/c24-22-9-7-20(17-23(22)25)28-14-12-27(13-15-28)11-3-10-26-31(29,30)21-8-6-18-4-1-2-5-19(18)16-21/h1-2,4-9,16-17,26H,3,10-15H2
InChIKeySBUQDLLDTGCUFS-UHFFFAOYSA-N
MW478.45 g/mol
LogP4.64
Rot. Bonds7

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

N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 42635387) has the molecular formula C23H25Cl2N3O2S and a molecular weight of 478.45 g/mol. Its IUPAC name is N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID42635387
Molecular FormulaC23H25Cl2N3O2S
Molecular Weight478.45 g/mol
Exact Mass477.10
IUPAC NameN-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25Cl2N3O2S/c24-22-9-7-20(17-23(22)25)28-14-12-27(13-15-28)11-3-10-26-31(29,30)21-8-6-18-4-1-2-5-19(18)16-21/h1-2,4-9,16-17,26H,3,10-15H2
InChIKeySBUQDLLDTGCUFS-UHFFFAOYSA-N
XLogP4.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 54.64
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-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (CID 42635387) is N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is SBUQDLLDTGCUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2S/c24-22-9-7-20(17-23(22)25)28-14-12-27(13-15-28)11-3-10-26-31(29,30)21-8-6-18-4-1-2-5-19(18)16-21/h1-2,4-9,16-17,26H,3,10-15H2.
What are the key properties of N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 478.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42635387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).