6-chloro-N-cyclopropylhexane-1-sulfonamide

C9H18ClNO2S — CID 11010063

IUPAC6-chloro-N-cyclopropylhexane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCl)NC1CC1
InChIInChI=1S/C9H18ClNO2S/c10-7-3-1-2-4-8-14(12,13)11-9-5-6-9/h9,11H,1-8H2
InChIKeyYAYBCYIBIQSFEB-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.87
Rot. Bonds8

About 6-chloro-N-cyclopropylhexane-1-sulfonamide

6-chloro-N-cyclopropylhexane-1-sulfonamide (PubChem CID 11010063) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 6-chloro-N-cyclopropylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropylhexane-1-sulfonamide
PubChem CID11010063
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name6-chloro-N-cyclopropylhexane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCl)NC1CC1
InChIInChI=1S/C9H18ClNO2S/c10-7-3-1-2-4-8-14(12,13)11-9-5-6-9/h9,11H,1-8H2
InChIKeyYAYBCYIBIQSFEB-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.87
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-cyclopropylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-cyclopropylhexane-1-sulfonamide (CID 11010063) is 6-chloro-N-cyclopropylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-cyclopropylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-cyclopropylhexane-1-sulfonamide is O=S(=O)(CCCCCCCl)NC1CC1.
What is the InChIKey of 6-chloro-N-cyclopropylhexane-1-sulfonamide?
The InChIKey is YAYBCYIBIQSFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c10-7-3-1-2-4-8-14(12,13)11-9-5-6-9/h9,11H,1-8H2.
What are the key properties of 6-chloro-N-cyclopropylhexane-1-sulfonamide?
6-chloro-N-cyclopropylhexane-1-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropylhexane-1-sulfonamide is sourced from PubChem (CID 11010063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).