N-hexylhexane-1-sulfonamide

C12H27NO2S — CID 19021574

IUPACN-hexylhexane-1-sulfonamide
SMILESCCCCCCNS(=O)(=O)CCCCCC
InChIInChI=1S/C12H27NO2S/c1-3-5-7-9-11-13-16(14,15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyZDUVZKAUVQPSCJ-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.07
Rot. Bonds11

About N-hexylhexane-1-sulfonamide

N-hexylhexane-1-sulfonamide (PubChem CID 19021574) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-hexylhexane-1-sulfonamide.

Molecular Properties

Compound NameN-hexylhexane-1-sulfonamide
PubChem CID19021574
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-hexylhexane-1-sulfonamide
SMILESCCCCCCNS(=O)(=O)CCCCCC
InChIInChI=1S/C12H27NO2S/c1-3-5-7-9-11-13-16(14,15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyZDUVZKAUVQPSCJ-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of N-hexylhexane-1-sulfonamide?
The IUPAC name of N-hexylhexane-1-sulfonamide (CID 19021574) is N-hexylhexane-1-sulfonamide.
What is the SMILES notation for N-hexylhexane-1-sulfonamide?
The canonical SMILES for N-hexylhexane-1-sulfonamide is CCCCCCNS(=O)(=O)CCCCCC.
What is the InChIKey of N-hexylhexane-1-sulfonamide?
The InChIKey is ZDUVZKAUVQPSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-3-5-7-9-11-13-16(14,15)12-10-8-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of N-hexylhexane-1-sulfonamide?
N-hexylhexane-1-sulfonamide has a molecular weight of 249.42 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhexane-1-sulfonamide is sourced from PubChem (CID 19021574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).