4-dodecoxynaphthalene-1-sulfonamide

C22H33NO3S — CID 54239481

IUPAC4-dodecoxynaphthalene-1-sulfonamide
SMILESCCCCCCCCCCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C22H33NO3S/c1-2-3-4-5-6-7-8-9-10-13-18-26-21-16-17-22(27(23,24)25)20-15-12-11-14-19(20)21/h11-12,14-17H,2-10,13,18H2,1H3,(H2,23,24,25)
InChIKeyOUKXVULABMAYRD-UHFFFAOYSA-N
MW391.58 g/mol
LogP5.79
Rot. Bonds13

About 4-dodecoxynaphthalene-1-sulfonamide

4-dodecoxynaphthalene-1-sulfonamide (PubChem CID 54239481) has the molecular formula C22H33NO3S and a molecular weight of 391.58 g/mol. Its IUPAC name is 4-dodecoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-dodecoxynaphthalene-1-sulfonamide
PubChem CID54239481
Molecular FormulaC22H33NO3S
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC Name4-dodecoxynaphthalene-1-sulfonamide
SMILESCCCCCCCCCCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C22H33NO3S/c1-2-3-4-5-6-7-8-9-10-13-18-26-21-16-17-22(27(23,24)25)20-15-12-11-14-19(20)21/h11-12,14-17H,2-10,13,18H2,1H3,(H2,23,24,25)
InChIKeyOUKXVULABMAYRD-UHFFFAOYSA-N
XLogP5.79
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 55.79
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

4-butoxynaphthalene-1-sulfonamide
CID 43342503
4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
1,4-didodecoxynaphthalene
CID 21304164
N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
4-pent-4-enoxynaphthalene-1-sulfonamide
CID 82913570
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
CID 64566322
1,4-dibutoxynaphthalene
CID 22016411
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
2-chloro-8-pentoxyquinoline-5-sulfonamide
CID 83171239

Frequently Asked Questions

What is the IUPAC name of 4-dodecoxynaphthalene-1-sulfonamide?
The IUPAC name of 4-dodecoxynaphthalene-1-sulfonamide (CID 54239481) is 4-dodecoxynaphthalene-1-sulfonamide.
What is the SMILES notation for 4-dodecoxynaphthalene-1-sulfonamide?
The canonical SMILES for 4-dodecoxynaphthalene-1-sulfonamide is CCCCCCCCCCCCOc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-dodecoxynaphthalene-1-sulfonamide?
The InChIKey is OUKXVULABMAYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3S/c1-2-3-4-5-6-7-8-9-10-13-18-26-21-16-17-22(27(23,24)25)20-15-12-11-14-19(20)21/h11-12,14-17H,2-10,13,18H2,1H3,(H2,23,24,25).
What are the key properties of 4-dodecoxynaphthalene-1-sulfonamide?
4-dodecoxynaphthalene-1-sulfonamide has a molecular weight of 391.58 g/mol, XLogP of 5.79, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 54239481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).