4-(3-methylbutoxy)naphthalene-1-sulfonamide

C15H19NO3S — CID 43164550

IUPAC4-(3-methylbutoxy)naphthalene-1-sulfonamide
SMILESCC(C)CCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C15H19NO3S/c1-11(2)9-10-19-14-7-8-15(20(16,17)18)13-6-4-3-5-12(13)14/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyBKOJGDMBQKZUPU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.91
Rot. Bonds5

About 4-(3-methylbutoxy)naphthalene-1-sulfonamide

4-(3-methylbutoxy)naphthalene-1-sulfonamide (PubChem CID 43164550) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(3-methylbutoxy)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)naphthalene-1-sulfonamide
PubChem CID43164550
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name4-(3-methylbutoxy)naphthalene-1-sulfonamide
SMILESCC(C)CCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C15H19NO3S/c1-11(2)9-10-19-14-7-8-15(20(16,17)18)13-6-4-3-5-12(13)14/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyBKOJGDMBQKZUPU-UHFFFAOYSA-N
XLogP2.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxynaphthalene-1-sulfonamide
CID 43342503
4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
CID 64566322
4-pent-4-enoxynaphthalene-1-sulfonamide
CID 82913570
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
CID 63691515
2-(3-methylbutoxy)-5-nitrobenzenesulfonamide
CID 43342318
dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
CID 175948791
5-(4-methylpentoxy)quinoline-8-sulfonyl chloride
CID 103044656
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)naphthalene-1-sulfonamide?
The IUPAC name of 4-(3-methylbutoxy)naphthalene-1-sulfonamide (CID 43164550) is 4-(3-methylbutoxy)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-(3-methylbutoxy)naphthalene-1-sulfonamide?
The canonical SMILES for 4-(3-methylbutoxy)naphthalene-1-sulfonamide is CC(C)CCOc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-(3-methylbutoxy)naphthalene-1-sulfonamide?
The InChIKey is BKOJGDMBQKZUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(2)9-10-19-14-7-8-15(20(16,17)18)13-6-4-3-5-12(13)14/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-(3-methylbutoxy)naphthalene-1-sulfonamide?
4-(3-methylbutoxy)naphthalene-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)naphthalene-1-sulfonamide is sourced from PubChem (CID 43164550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).