N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide

C17H24N2O3S — CID 164548551

IUPACN-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NCCN)c2ccccc12
InChIInChI=1S/C17H24N2O3S/c1-2-3-6-13-22-16-9-10-17(23(20,21)19-12-11-18)15-8-5-4-7-14(15)16/h4-5,7-10,19H,2-3,6,11-13,18H2,1H3
InChIKeyNEUCZFVMCTWYPC-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.65
Rot. Bonds9

About N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide

N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide (PubChem CID 164548551) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
PubChem CID164548551
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NCCN)c2ccccc12
InChIInChI=1S/C17H24N2O3S/c1-2-3-6-13-22-16-9-10-17(23(20,21)19-12-11-18)15-8-5-4-7-14(15)16/h4-5,7-10,19H,2-3,6,11-13,18H2,1H3
InChIKeyNEUCZFVMCTWYPC-UHFFFAOYSA-N
XLogP2.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 16644990
N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
CID 25252533
4-butoxynaphthalene-1-sulfonamide
CID 43342503
N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
CID 170915645
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
1,4-didodecoxynaphthalene
CID 21304164
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526
2-fluoro-5-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 155532366
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide (CID 164548551) is N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide is CCCCCOc1ccc(S(=O)(=O)NCCN)c2ccccc12.
What is the InChIKey of N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide?
The InChIKey is NEUCZFVMCTWYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-3-6-13-22-16-9-10-17(23(20,21)19-12-11-18)15-8-5-4-7-14(15)16/h4-5,7-10,19H,2-3,6,11-13,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide?
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 164548551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).