4-fluoro-N-(3-methoxypropyl)benzenesulfonamide

C10H14FNO3S — CID 5031534

IUPAC4-fluoro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyCPOOFEUGOHZIJT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.14
Rot. Bonds6

About 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide

4-fluoro-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 5031534) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID5031534
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name4-fluoro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyCPOOFEUGOHZIJT-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide (CID 5031534) is 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is CPOOFEUGOHZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
4-fluoro-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 5031534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).