4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide

C15H17NO3S — CID 114473017

IUPAC4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
SMILESC=C(C)CCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C15H17NO3S/c1-11(2)9-10-19-14-7-8-15(20(16,17)18)13-6-4-3-5-12(13)14/h3-8H,1,9-10H2,2H3,(H2,16,17,18)
InChIKeyKZLVSBPNOKGNKU-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.83
Rot. Bonds5

About 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide

4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide (PubChem CID 114473017) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
PubChem CID114473017
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
SMILESC=C(C)CCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C15H17NO3S/c1-11(2)9-10-19-14-7-8-15(20(16,17)18)13-6-4-3-5-12(13)14/h3-8H,1,9-10H2,2H3,(H2,16,17,18)
InChIKeyKZLVSBPNOKGNKU-UHFFFAOYSA-N
XLogP2.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
4-butoxynaphthalene-1-sulfonamide
CID 43342503
4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
CID 64566322
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
4-pent-4-enoxynaphthalene-1-sulfonamide
CID 82913570
4-(3-methylbut-3-enoxy)naphthalene-1-carbonitrile
CID 114088515
3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473013
1-bromo-2-(3-methylbut-3-enoxy)naphthalene
CID 114472659
3,5-dimethyl-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473034

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide?
The IUPAC name of 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide (CID 114473017) is 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide?
The canonical SMILES for 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide is C=C(C)CCOc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide?
The InChIKey is KZLVSBPNOKGNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11(2)9-10-19-14-7-8-15(20(16,17)18)13-6-4-3-5-12(13)14/h3-8H,1,9-10H2,2H3,(H2,16,17,18).
What are the key properties of 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide?
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide is sourced from PubChem (CID 114473017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).