6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide

C14H20ClFN2O3S — CID 100713600

IUPAC6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOC1CCCCC1)c1cnc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2O3S/c15-14-13(16)9-12(10-17-14)22(19,20)18-7-4-8-21-11-5-2-1-3-6-11/h9-11,18H,1-8H2
InChIKeyCRCJOCZUBGWQNK-UHFFFAOYSA-N
MW350.84 g/mol
LogP2.89
Rot. Bonds7

About 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide

6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide (PubChem CID 100713600) has the molecular formula C14H20ClFN2O3S and a molecular weight of 350.84 g/mol. Its IUPAC name is 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide
PubChem CID100713600
Molecular FormulaC14H20ClFN2O3S
Molecular Weight350.84 g/mol
Exact Mass350.09
IUPAC Name6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOC1CCCCC1)c1cnc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2O3S/c15-14-13(16)9-12(10-17-14)22(19,20)18-7-4-8-21-11-5-2-1-3-6-11/h9-11,18H,1-8H2
InChIKeyCRCJOCZUBGWQNK-UHFFFAOYSA-N
XLogP2.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide (CID 100713600) is 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide is O=S(=O)(NCCCOC1CCCCC1)c1cnc(Cl)c(F)c1.
What is the InChIKey of 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is CRCJOCZUBGWQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O3S/c15-14-13(16)9-12(10-17-14)22(19,20)18-7-4-8-21-11-5-2-1-3-6-11/h9-11,18H,1-8H2.
What are the key properties of 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide?
6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 350.84 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-cyclohexyloxypropyl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 100713600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).