4-butoxynaphthalene-1-sulfonamide

C14H17NO3S — CID 43342503

IUPAC4-butoxynaphthalene-1-sulfonamide
SMILESCCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C14H17NO3S/c1-2-3-10-18-13-8-9-14(19(15,16)17)12-7-5-4-6-11(12)13/h4-9H,2-3,10H2,1H3,(H2,15,16,17)
InChIKeyUIWVUICJMUWNGR-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.67
Rot. Bonds5

About 4-butoxynaphthalene-1-sulfonamide

4-butoxynaphthalene-1-sulfonamide (PubChem CID 43342503) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-butoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-butoxynaphthalene-1-sulfonamide
PubChem CID43342503
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name4-butoxynaphthalene-1-sulfonamide
SMILESCCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C14H17NO3S/c1-2-3-10-18-13-8-9-14(19(15,16)17)12-7-5-4-6-11(12)13/h4-9H,2-3,10H2,1H3,(H2,15,16,17)
InChIKeyUIWVUICJMUWNGR-UHFFFAOYSA-N
XLogP2.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.67
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-dodecoxynaphthalene-1-sulfonamide
CID 54239481
4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
1,4-dibutoxynaphthalene
CID 22016411
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
N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
1,4-didodecoxynaphthalene
CID 21304164
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
butyl 2,6-dimethoxy-3-sulfamoylbenzoate
CID 65379600

Frequently Asked Questions

What is the IUPAC name of 4-butoxynaphthalene-1-sulfonamide?
The IUPAC name of 4-butoxynaphthalene-1-sulfonamide (CID 43342503) is 4-butoxynaphthalene-1-sulfonamide.
What is the SMILES notation for 4-butoxynaphthalene-1-sulfonamide?
The canonical SMILES for 4-butoxynaphthalene-1-sulfonamide is CCCCOc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-butoxynaphthalene-1-sulfonamide?
The InChIKey is UIWVUICJMUWNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-3-10-18-13-8-9-14(19(15,16)17)12-7-5-4-6-11(12)13/h4-9H,2-3,10H2,1H3,(H2,15,16,17).
What are the key properties of 4-butoxynaphthalene-1-sulfonamide?
4-butoxynaphthalene-1-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 43342503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).