6-chloro-N-hexylhexane-1-sulfonamide

C12H26ClNO2S — CID 57041000

IUPAC6-chloro-N-hexylhexane-1-sulfonamide
SMILESCCCCCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C12H26ClNO2S/c1-2-3-4-8-11-14-17(15,16)12-9-6-5-7-10-13/h14H,2-12H2,1H3
InChIKeyIZUYKXQFWMPWOU-UHFFFAOYSA-N
MW283.86 g/mol
LogP3.29
Rot. Bonds12

About 6-chloro-N-hexylhexane-1-sulfonamide

6-chloro-N-hexylhexane-1-sulfonamide (PubChem CID 57041000) has the molecular formula C12H26ClNO2S and a molecular weight of 283.86 g/mol. Its IUPAC name is 6-chloro-N-hexylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-hexylhexane-1-sulfonamide
PubChem CID57041000
Molecular FormulaC12H26ClNO2S
Molecular Weight283.86 g/mol
Exact Mass283.14
IUPAC Name6-chloro-N-hexylhexane-1-sulfonamide
SMILESCCCCCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C12H26ClNO2S/c1-2-3-4-8-11-14-17(15,16)12-9-6-5-7-10-13/h14H,2-12H2,1H3
InChIKeyIZUYKXQFWMPWOU-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hexylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-hexylhexane-1-sulfonamide (CID 57041000) is 6-chloro-N-hexylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-hexylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-hexylhexane-1-sulfonamide is CCCCCCNS(=O)(=O)CCCCCCCl.
What is the InChIKey of 6-chloro-N-hexylhexane-1-sulfonamide?
The InChIKey is IZUYKXQFWMPWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClNO2S/c1-2-3-4-8-11-14-17(15,16)12-9-6-5-7-10-13/h14H,2-12H2,1H3.
What are the key properties of 6-chloro-N-hexylhexane-1-sulfonamide?
6-chloro-N-hexylhexane-1-sulfonamide has a molecular weight of 283.86 g/mol, XLogP of 3.29, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hexylhexane-1-sulfonamide is sourced from PubChem (CID 57041000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).