pentacosane-1-sulfonamide

C25H53NO2S — CID 149252389

IUPACpentacosane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C25H53NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(26,27)28/h2-25H2,1H3,(H2,26,27,28)
InChIKeyUNPIQDSQKNQQPV-UHFFFAOYSA-N
MW431.77 g/mol
LogP8.27
Rot. Bonds24

About pentacosane-1-sulfonamide

pentacosane-1-sulfonamide (PubChem CID 149252389) has the molecular formula C25H53NO2S and a molecular weight of 431.77 g/mol. Its IUPAC name is pentacosane-1-sulfonamide.

Molecular Properties

Compound Namepentacosane-1-sulfonamide
PubChem CID149252389
Molecular FormulaC25H53NO2S
Molecular Weight431.77 g/mol
Exact Mass431.38
IUPAC Namepentacosane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C25H53NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(26,27)28/h2-25H2,1H3,(H2,26,27,28)
InChIKeyUNPIQDSQKNQQPV-UHFFFAOYSA-N
XLogP8.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.77
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
dodecane-1,12-disulfonamide
CID 57288842
octane-1-sulfonamide;oxido(propyl)azanium
CID 174903054
hexane;sulfamide
CID 87750585
9-propoxynonane-1-sulfonamide
CID 105343921
1-ethylsulfonylheptane
CID 19089519
1-octylsulfonylnonane
CID 19089492
5,5-diethylnonane-1-sulfonamide
CID 57243895
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
propane-1,3-disulfonamide
CID 22153832
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of pentacosane-1-sulfonamide?
The IUPAC name of pentacosane-1-sulfonamide (CID 149252389) is pentacosane-1-sulfonamide.
What is the SMILES notation for pentacosane-1-sulfonamide?
The canonical SMILES for pentacosane-1-sulfonamide is CCCCCCCCCCCCCCCCCCCCCCCCCS(N)(=O)=O.
What is the InChIKey of pentacosane-1-sulfonamide?
The InChIKey is UNPIQDSQKNQQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(26,27)28/h2-25H2,1H3,(H2,26,27,28).
What are the key properties of pentacosane-1-sulfonamide?
pentacosane-1-sulfonamide has a molecular weight of 431.77 g/mol, XLogP of 8.27, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosane-1-sulfonamide is sourced from PubChem (CID 149252389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).