ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen

C13H25NO2S — CID 145394472

IUPACethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen
SMILESCC.CCc1cccc(NS(=O)(=O)C(C)C)c1.[H][H]
InChIInChI=1S/C11H17NO2S.C2H6.H2/c1-4-10-6-5-7-11(8-10)12-15(13,14)9(2)3;1-2;/h5-9,12H,4H2,1-3H3;1-2H3;1H
InChIKeyJUIAICHWAUNGAD-UHFFFAOYSA-N
MW259.41 g/mol
LogP3.67
Rot. Bonds4

About ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen

ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen (PubChem CID 145394472) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen
PubChem CID145394472
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Nameethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen
SMILESCC.CCc1cccc(NS(=O)(=O)C(C)C)c1.[H][H]
InChIInChI=1S/C11H17NO2S.C2H6.H2/c1-4-10-6-5-7-11(8-10)12-15(13,14)9(2)3;1-2;/h5-9,12H,4H2,1-3H3;1-2H3;1H
InChIKeyJUIAICHWAUNGAD-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen?
The IUPAC name of ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen (CID 145394472) is ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen?
The canonical SMILES for ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen is CC.CCc1cccc(NS(=O)(=O)C(C)C)c1.[H][H].
What is the InChIKey of ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen?
The InChIKey is JUIAICHWAUNGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C2H6.H2/c1-4-10-6-5-7-11(8-10)12-15(13,14)9(2)3;1-2;/h5-9,12H,4H2,1-3H3;1-2H3;1H.
What are the key properties of ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen?
ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen has a molecular weight of 259.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 145394472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).