6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide

C14H14ClFN2O3S — CID 110307295

IUPAC6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOc1ccc(F)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C14H14ClFN2O3S/c15-14-7-6-13(10-17-14)22(19,20)18-8-1-9-21-12-4-2-11(16)3-5-12/h2-7,10,18H,1,8-9H2
InChIKeyYITCWIXJEODULT-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.62
Rot. Bonds7

About 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide

6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide (PubChem CID 110307295) has the molecular formula C14H14ClFN2O3S and a molecular weight of 344.80 g/mol. Its IUPAC name is 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide
PubChem CID110307295
Molecular FormulaC14H14ClFN2O3S
Molecular Weight344.80 g/mol
Exact Mass344.04
IUPAC Name6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCOc1ccc(F)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C14H14ClFN2O3S/c15-14-7-6-13(10-17-14)22(19,20)18-8-1-9-21-12-4-2-11(16)3-5-12/h2-7,10,18H,1,8-9H2
InChIKeyYITCWIXJEODULT-UHFFFAOYSA-N
XLogP2.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.62
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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Related Compounds

4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
CID 110627344
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-fluorobenzohydrazide
CID 4729924
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
CID 110288266

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide (CID 110307295) is 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide is O=S(=O)(NCCCOc1ccc(F)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide?
The InChIKey is YITCWIXJEODULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3S/c15-14-7-6-13(10-17-14)22(19,20)18-8-1-9-21-12-4-2-11(16)3-5-12/h2-7,10,18H,1,8-9H2.
What are the key properties of 6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide?
6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide has a molecular weight of 344.80 g/mol, XLogP of 2.62, 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-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110307295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).