buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen

C17H27NO2S — CID 156645362

IUPACbuta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen
SMILESC=CC=C.CC.CNS(=O)(=O)c1ccc2c(c1)CCC=C2.[H][H]
InChIInChI=1S/C11H13NO2S.C4H6.C2H6.H2/c1-12-15(13,14)11-7-6-9-4-2-3-5-10(9)8-11;1-3-4-2;1-2;/h2,4,6-8,12H,3,5H2,1H3;3-4H,1-2H2;1-2H3;1H
InChIKeyZNQVNNCOXXHAMA-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.18
Rot. Bonds3

About buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen

buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen (PubChem CID 156645362) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Namebuta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen
PubChem CID156645362
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Namebuta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen
SMILESC=CC=C.CC.CNS(=O)(=O)c1ccc2c(c1)CCC=C2.[H][H]
InChIInChI=1S/C11H13NO2S.C4H6.C2H6.H2/c1-12-15(13,14)11-7-6-9-4-2-3-5-10(9)8-11;1-3-4-2;1-2;/h2,4,6-8,12H,3,5H2,1H3;3-4H,1-2H2;1-2H3;1H
InChIKeyZNQVNNCOXXHAMA-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen?
The IUPAC name of buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen (CID 156645362) is buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen.
What is the SMILES notation for buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen?
The canonical SMILES for buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen is C=CC=C.CC.CNS(=O)(=O)c1ccc2c(c1)CCC=C2.[H][H].
What is the InChIKey of buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen?
The InChIKey is ZNQVNNCOXXHAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S.C4H6.C2H6.H2/c1-12-15(13,14)11-7-6-9-4-2-3-5-10(9)8-11;1-3-4-2;1-2;/h2,4,6-8,12H,3,5H2,1H3;3-4H,1-2H2;1-2H3;1H.
What are the key properties of buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen?
buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen has a molecular weight of 309.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;ethane;N-methyl-7,8-dihydronaphthalene-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 156645362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).