N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H22N2O2S — CID 110661050

IUPACN-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCc1ccccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2O2S/c21-23(22,20-13-5-9-17-8-3-4-12-19-17)18-11-10-15-6-1-2-7-16(15)14-18/h3-4,8,10-12,14,20H,1-2,5-7,9,13H2
InChIKeyKPBRYLNKYWYRKX-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.87
Rot. Bonds6

About N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 110661050) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID110661050
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCc1ccccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2O2S/c21-23(22,20-13-5-9-17-8-3-4-12-19-17)18-11-10-15-6-1-2-7-16(15)14-18/h3-4,8,10-12,14,20H,1-2,5-7,9,13H2
InChIKeyKPBRYLNKYWYRKX-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.87
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-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71808241
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
N-[2-(1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110722088
N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 120715722
N-[3-(4-morpholin-4-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16891013
N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20955990
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
CID 67533560

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 110661050) is N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCCCc1ccccn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KPBRYLNKYWYRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-23(22,20-13-5-9-17-8-3-4-12-19-17)18-11-10-15-6-1-2-7-16(15)14-18/h3-4,8,10-12,14,20H,1-2,5-7,9,13H2.
What are the key properties of N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 110661050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).