4-ethylsulfonylnaphthalene-1-sulfonamide

C12H13NO4S2 — CID 13296

IUPAC4-ethylsulfonylnaphthalene-1-sulfonamide
SMILESCCS(=O)(=O)c1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)
InChIKeyBLQOLXMZXQXGOL-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.28
Rot. Bonds3

About 4-ethylsulfonylnaphthalene-1-sulfonamide

4-ethylsulfonylnaphthalene-1-sulfonamide (PubChem CID 13296) has the molecular formula C12H13NO4S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-ethylsulfonylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethylsulfonylnaphthalene-1-sulfonamide
PubChem CID13296
Molecular FormulaC12H13NO4S2
Molecular Weight299.37 g/mol
Exact Mass299.03
IUPAC Name4-ethylsulfonylnaphthalene-1-sulfonamide
SMILESCCS(=O)(=O)c1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)
InChIKeyBLQOLXMZXQXGOL-UHFFFAOYSA-N
XLogP1.28
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylnaphthalene-1-sulfonamide?
The IUPAC name of 4-ethylsulfonylnaphthalene-1-sulfonamide (CID 13296) is 4-ethylsulfonylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethylsulfonylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-ethylsulfonylnaphthalene-1-sulfonamide is CCS(=O)(=O)c1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-ethylsulfonylnaphthalene-1-sulfonamide?
The InChIKey is BLQOLXMZXQXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17).
What are the key properties of 4-ethylsulfonylnaphthalene-1-sulfonamide?
4-ethylsulfonylnaphthalene-1-sulfonamide has a molecular weight of 299.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylnaphthalene-1-sulfonamide is sourced from PubChem (CID 13296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).