9-chloro-N-cyclopropylnonane-1-sulfonamide

C12H24ClNO2S — CID 22111571

IUPAC9-chloro-N-cyclopropylnonane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCCCCl)NC1CC1
InChIInChI=1S/C12H24ClNO2S/c13-10-6-4-2-1-3-5-7-11-17(15,16)14-12-8-9-12/h12,14H,1-11H2
InChIKeyXXCAZYPIISRKBC-UHFFFAOYSA-N
MW281.85 g/mol
LogP3.04
Rot. Bonds11

About 9-chloro-N-cyclopropylnonane-1-sulfonamide

9-chloro-N-cyclopropylnonane-1-sulfonamide (PubChem CID 22111571) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is 9-chloro-N-cyclopropylnonane-1-sulfonamide.

Molecular Properties

Compound Name9-chloro-N-cyclopropylnonane-1-sulfonamide
PubChem CID22111571
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC Name9-chloro-N-cyclopropylnonane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCCCCl)NC1CC1
InChIInChI=1S/C12H24ClNO2S/c13-10-6-4-2-1-3-5-7-11-17(15,16)14-12-8-9-12/h12,14H,1-11H2
InChIKeyXXCAZYPIISRKBC-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 53.04
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 9-chloro-N-cyclopropylnonane-1-sulfonamide?
The IUPAC name of 9-chloro-N-cyclopropylnonane-1-sulfonamide (CID 22111571) is 9-chloro-N-cyclopropylnonane-1-sulfonamide.
What is the SMILES notation for 9-chloro-N-cyclopropylnonane-1-sulfonamide?
The canonical SMILES for 9-chloro-N-cyclopropylnonane-1-sulfonamide is O=S(=O)(CCCCCCCCCCl)NC1CC1.
What is the InChIKey of 9-chloro-N-cyclopropylnonane-1-sulfonamide?
The InChIKey is XXCAZYPIISRKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c13-10-6-4-2-1-3-5-7-11-17(15,16)14-12-8-9-12/h12,14H,1-11H2.
What are the key properties of 9-chloro-N-cyclopropylnonane-1-sulfonamide?
9-chloro-N-cyclopropylnonane-1-sulfonamide has a molecular weight of 281.85 g/mol, XLogP of 3.04, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-cyclopropylnonane-1-sulfonamide is sourced from PubChem (CID 22111571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).