N,N-dicyclohexyldodecane-1-sulfonamide

C24H47NO2S — CID 15510196

IUPACN,N-dicyclohexyldodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H47NO2S/c1-2-3-4-5-6-7-8-9-10-17-22-28(26,27)25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h23-24H,2-22H2,1H3
InChIKeyMUWQIZUAEOXHKR-UHFFFAOYSA-N
MW413.71 g/mol
LogP7.20
Rot. Bonds14

About N,N-dicyclohexyldodecane-1-sulfonamide

N,N-dicyclohexyldodecane-1-sulfonamide (PubChem CID 15510196) has the molecular formula C24H47NO2S and a molecular weight of 413.71 g/mol. Its IUPAC name is N,N-dicyclohexyldodecane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyldodecane-1-sulfonamide
PubChem CID15510196
Molecular FormulaC24H47NO2S
Molecular Weight413.71 g/mol
Exact Mass413.33
IUPAC NameN,N-dicyclohexyldodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H47NO2S/c1-2-3-4-5-6-7-8-9-10-17-22-28(26,27)25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h23-24H,2-22H2,1H3
InChIKeyMUWQIZUAEOXHKR-UHFFFAOYSA-N
XLogP7.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.71
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyldodecane-1-sulfonamide?
The IUPAC name of N,N-dicyclohexyldodecane-1-sulfonamide (CID 15510196) is N,N-dicyclohexyldodecane-1-sulfonamide.
What is the SMILES notation for N,N-dicyclohexyldodecane-1-sulfonamide?
The canonical SMILES for N,N-dicyclohexyldodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyldodecane-1-sulfonamide?
The InChIKey is MUWQIZUAEOXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2S/c1-2-3-4-5-6-7-8-9-10-17-22-28(26,27)25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h23-24H,2-22H2,1H3.
What are the key properties of N,N-dicyclohexyldodecane-1-sulfonamide?
N,N-dicyclohexyldodecane-1-sulfonamide has a molecular weight of 413.71 g/mol, XLogP of 7.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyldodecane-1-sulfonamide is sourced from PubChem (CID 15510196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).