3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C14H21FN2O4S — CID 6471347

IUPAC3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F
InChIInChI=1S/C14H21FN2O4S/c1-20-14-4-3-12(11-13(14)15)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyUUFAYZLTNBSXJC-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.83
Rot. Bonds7

About 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 6471347) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID6471347
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F
InChIInChI=1S/C14H21FN2O4S/c1-20-14-4-3-12(11-13(14)15)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyUUFAYZLTNBSXJC-UHFFFAOYSA-N
XLogP0.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 6471347) is 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is UUFAYZLTNBSXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-20-14-4-3-12(11-13(14)15)22(18,19)16-5-2-6-17-7-9-21-10-8-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 6471347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).