4-propan-2-yloxynaphthalene-1-sulfonamide

C13H15NO3S — CID 37479566

IUPAC4-propan-2-yloxynaphthalene-1-sulfonamide
SMILESCC(C)Oc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C13H15NO3S/c1-9(2)17-12-7-8-13(18(14,15)16)11-6-4-3-5-10(11)12/h3-9H,1-2H3,(H2,14,15,16)
InChIKeyMVHXFCVNQQZSBC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.27
Rot. Bonds3

About 4-propan-2-yloxynaphthalene-1-sulfonamide

4-propan-2-yloxynaphthalene-1-sulfonamide (PubChem CID 37479566) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-propan-2-yloxynaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxynaphthalene-1-sulfonamide
PubChem CID37479566
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-propan-2-yloxynaphthalene-1-sulfonamide
SMILESCC(C)Oc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C13H15NO3S/c1-9(2)17-12-7-8-13(18(14,15)16)11-6-4-3-5-10(11)12/h3-9H,1-2H3,(H2,14,15,16)
InChIKeyMVHXFCVNQQZSBC-UHFFFAOYSA-N
XLogP2.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxynaphthalene-1-sulfonamide?
The IUPAC name of 4-propan-2-yloxynaphthalene-1-sulfonamide (CID 37479566) is 4-propan-2-yloxynaphthalene-1-sulfonamide.
What is the SMILES notation for 4-propan-2-yloxynaphthalene-1-sulfonamide?
The canonical SMILES for 4-propan-2-yloxynaphthalene-1-sulfonamide is CC(C)Oc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-propan-2-yloxynaphthalene-1-sulfonamide?
The InChIKey is MVHXFCVNQQZSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9(2)17-12-7-8-13(18(14,15)16)11-6-4-3-5-10(11)12/h3-9H,1-2H3,(H2,14,15,16).
What are the key properties of 4-propan-2-yloxynaphthalene-1-sulfonamide?
4-propan-2-yloxynaphthalene-1-sulfonamide has a molecular weight of 265.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxynaphthalene-1-sulfonamide is sourced from PubChem (CID 37479566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).