4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

C21H24N2O3S — CID 16644990

IUPAC4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NCc2ccccn2)c2ccccc12
InChIInChI=1S/C21H24N2O3S/c1-2-3-8-15-26-20-12-13-21(19-11-5-4-10-18(19)20)27(24,25)23-16-17-9-6-7-14-22-17/h4-7,9-14,23H,2-3,8,15-16H2,1H3
InChIKeyUVFNDFSAHWPHEB-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.28
Rot. Bonds9

About 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 16644990) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
PubChem CID16644990
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NCc2ccccn2)c2ccccc12
InChIInChI=1S/C21H24N2O3S/c1-2-3-8-15-26-20-12-13-21(19-11-5-4-10-18(19)20)27(24,25)23-16-17-9-6-7-14-22-17/h4-7,9-14,23H,2-3,8,15-16H2,1H3
InChIKeyUVFNDFSAHWPHEB-UHFFFAOYSA-N
XLogP4.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.28
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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Related Compounds

N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20566512
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1258403
N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
CID 170915645
4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16645159
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
4-butoxynaphthalene-1-sulfonamide
CID 43342503
1,4-didodecoxynaphthalene
CID 21304164
N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
CID 25252533
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide (CID 16644990) is 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide is CCCCCOc1ccc(S(=O)(=O)NCc2ccccn2)c2ccccc12.
What is the InChIKey of 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is UVFNDFSAHWPHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-2-3-8-15-26-20-12-13-21(19-11-5-4-10-18(19)20)27(24,25)23-16-17-9-6-7-14-22-17/h4-7,9-14,23H,2-3,8,15-16H2,1H3.
What are the key properties of 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 16644990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).