decane-1-sulfonic acid;1,2-diphenylhydrazine

C22H34N2O3S — CID 161360393

IUPACdecane-1-sulfonic acid;1,2-diphenylhydrazine
SMILESCCCCCCCCCCS(=O)(=O)O.c1ccc(NNc2ccccc2)cc1
InChIInChI=1S/C12H12N2.C10H22O3S/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-14(11,12)13/h1-10,13-14H;2-10H2,1H3,(H,11,12,13)
InChIKeyVPCBWFBFZUYLRA-UHFFFAOYSA-N
MW406.59 g/mol
LogP6.14
Rot. Bonds12

About decane-1-sulfonic acid;1,2-diphenylhydrazine

decane-1-sulfonic acid;1,2-diphenylhydrazine (PubChem CID 161360393) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is decane-1-sulfonic acid;1,2-diphenylhydrazine.

Molecular Properties

Compound Namedecane-1-sulfonic acid;1,2-diphenylhydrazine
PubChem CID161360393
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC Namedecane-1-sulfonic acid;1,2-diphenylhydrazine
SMILESCCCCCCCCCCS(=O)(=O)O.c1ccc(NNc2ccccc2)cc1
InChIInChI=1S/C12H12N2.C10H22O3S/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-14(11,12)13/h1-10,13-14H;2-10H2,1H3,(H,11,12,13)
InChIKeyVPCBWFBFZUYLRA-UHFFFAOYSA-N
XLogP6.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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decane-1-sulfonic acid;silver
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copper;dodecane-1-sulfonic acid
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CID 87263567
magnesium;hydride;triacontane-1-sulfonic acid
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magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
gold;pentane-1-sulfonic acid
CID 174800543
2,2-bis(octylsulfonyl)-1-N,1-N'-diphenylethene-1,1-diamine
CID 3963224

Frequently Asked Questions

What is the IUPAC name of decane-1-sulfonic acid;1,2-diphenylhydrazine?
The IUPAC name of decane-1-sulfonic acid;1,2-diphenylhydrazine (CID 161360393) is decane-1-sulfonic acid;1,2-diphenylhydrazine.
What is the SMILES notation for decane-1-sulfonic acid;1,2-diphenylhydrazine?
The canonical SMILES for decane-1-sulfonic acid;1,2-diphenylhydrazine is CCCCCCCCCCS(=O)(=O)O.c1ccc(NNc2ccccc2)cc1.
What is the InChIKey of decane-1-sulfonic acid;1,2-diphenylhydrazine?
The InChIKey is VPCBWFBFZUYLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C10H22O3S/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8-9-10-14(11,12)13/h1-10,13-14H;2-10H2,1H3,(H,11,12,13).
What are the key properties of decane-1-sulfonic acid;1,2-diphenylhydrazine?
decane-1-sulfonic acid;1,2-diphenylhydrazine has a molecular weight of 406.59 g/mol, XLogP of 6.14, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1-sulfonic acid;1,2-diphenylhydrazine is sourced from PubChem (CID 161360393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).