6-chloro-N-propan-2-ylhexane-1-sulfonamide

C9H20ClNO2S — CID 22111584

IUPAC6-chloro-N-propan-2-ylhexane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-9(2)11-14(12,13)8-6-4-3-5-7-10/h9,11H,3-8H2,1-2H3
InChIKeyAKLJMHDPGGDWCU-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.11
Rot. Bonds8

About 6-chloro-N-propan-2-ylhexane-1-sulfonamide

6-chloro-N-propan-2-ylhexane-1-sulfonamide (PubChem CID 22111584) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 6-chloro-N-propan-2-ylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-propan-2-ylhexane-1-sulfonamide
PubChem CID22111584
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name6-chloro-N-propan-2-ylhexane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-9(2)11-14(12,13)8-6-4-3-5-7-10/h9,11H,3-8H2,1-2H3
InChIKeyAKLJMHDPGGDWCU-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.11
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-propan-2-ylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-propan-2-ylhexane-1-sulfonamide (CID 22111584) is 6-chloro-N-propan-2-ylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-propan-2-ylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-propan-2-ylhexane-1-sulfonamide is CC(C)NS(=O)(=O)CCCCCCCl.
What is the InChIKey of 6-chloro-N-propan-2-ylhexane-1-sulfonamide?
The InChIKey is AKLJMHDPGGDWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-9(2)11-14(12,13)8-6-4-3-5-7-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-chloro-N-propan-2-ylhexane-1-sulfonamide?
6-chloro-N-propan-2-ylhexane-1-sulfonamide has a molecular weight of 241.78 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-ylhexane-1-sulfonamide is sourced from PubChem (CID 22111584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).