1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide

C12H18FNO4S — CID 104600551

IUPAC1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCOCCO
InChIInChI=1S/C12H18FNO4S/c13-12-4-2-11(3-5-12)10-19(16,17)14-6-1-8-18-9-7-15/h2-5,14-15H,1,6-10H2
InChIKeyRGCQBTFNSQDYOL-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.64
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide

1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide (PubChem CID 104600551) has the molecular formula C12H18FNO4S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
PubChem CID104600551
Molecular FormulaC12H18FNO4S
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCOCCO
InChIInChI=1S/C12H18FNO4S/c13-12-4-2-11(3-5-12)10-19(16,17)14-6-1-8-18-9-7-15/h2-5,14-15H,1,6-10H2
InChIKeyRGCQBTFNSQDYOL-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide (CID 104600551) is 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCCOCCO.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
The InChIKey is RGCQBTFNSQDYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO4S/c13-12-4-2-11(3-5-12)10-19(16,17)14-6-1-8-18-9-7-15/h2-5,14-15H,1,6-10H2.
What are the key properties of 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide has a molecular weight of 291.34 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide is sourced from PubChem (CID 104600551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).