6-chloro-N,N-dipropylhexane-1-sulfonamide

C12H26ClNO2S — CID 22111613

IUPAC6-chloro-N,N-dipropylhexane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCCCCl
InChIInChI=1S/C12H26ClNO2S/c1-3-10-14(11-4-2)17(15,16)12-8-6-5-7-9-13/h3-12H2,1-2H3
InChIKeyIWCXOFHCXZNVSL-UHFFFAOYSA-N
MW283.86 g/mol
LogP3.24
Rot. Bonds11

About 6-chloro-N,N-dipropylhexane-1-sulfonamide

6-chloro-N,N-dipropylhexane-1-sulfonamide (PubChem CID 22111613) has the molecular formula C12H26ClNO2S and a molecular weight of 283.86 g/mol. Its IUPAC name is 6-chloro-N,N-dipropylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N,N-dipropylhexane-1-sulfonamide
PubChem CID22111613
Molecular FormulaC12H26ClNO2S
Molecular Weight283.86 g/mol
Exact Mass283.14
IUPAC Name6-chloro-N,N-dipropylhexane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCCCCl
InChIInChI=1S/C12H26ClNO2S/c1-3-10-14(11-4-2)17(15,16)12-8-6-5-7-9-13/h3-12H2,1-2H3
InChIKeyIWCXOFHCXZNVSL-UHFFFAOYSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.86
LogP ≤ 53.24
H-Bond Donors ≤ 50
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,N-dipropylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N,N-dipropylhexane-1-sulfonamide (CID 22111613) is 6-chloro-N,N-dipropylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N,N-dipropylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N,N-dipropylhexane-1-sulfonamide is CCCN(CCC)S(=O)(=O)CCCCCCCl.
What is the InChIKey of 6-chloro-N,N-dipropylhexane-1-sulfonamide?
The InChIKey is IWCXOFHCXZNVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClNO2S/c1-3-10-14(11-4-2)17(15,16)12-8-6-5-7-9-13/h3-12H2,1-2H3.
What are the key properties of 6-chloro-N,N-dipropylhexane-1-sulfonamide?
6-chloro-N,N-dipropylhexane-1-sulfonamide has a molecular weight of 283.86 g/mol, XLogP of 3.24, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dipropylhexane-1-sulfonamide is sourced from PubChem (CID 22111613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).