N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide

C22H24N2O2S — CID 21091965

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O2S/c25-27(26,22-11-10-18-6-1-3-8-20(18)16-22)23-13-5-14-24-15-12-19-7-2-4-9-21(19)17-24/h1-4,6-11,16,23H,5,12-15,17H2
InChIKeyMAKNDTQMZPEUKX-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.57
Rot. Bonds6

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide (PubChem CID 21091965) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide
PubChem CID21091965
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O2S/c25-27(26,22-11-10-18-6-1-3-8-20(18)16-22)23-13-5-14-24-15-12-19-7-2-4-9-21(19)17-24/h1-4,6-11,16,23H,5,12-15,17H2
InChIKeyMAKNDTQMZPEUKX-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide (CID 21091965) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide?
The InChIKey is MAKNDTQMZPEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-27(26,22-11-10-18-6-1-3-8-20(18)16-22)23-13-5-14-24-15-12-19-7-2-4-9-21(19)17-24/h1-4,6-11,16,23H,5,12-15,17H2.
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide has a molecular weight of 380.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 21091965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).