1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea

C14H21FN2O4S — CID 10382098

IUPAC1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea
SMILESCCCCCNC(=O)NS(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C14H21FN2O4S/c1-2-3-4-10-16-14(18)17-22(19,20)13-7-5-12(6-8-13)21-11-9-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17,18)
InChIKeyOYPDDNUPZRHLHX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.21
Rot. Bonds9

About 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea

1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea (PubChem CID 10382098) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea.

Molecular Properties

Compound Name1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea
PubChem CID10382098
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea
SMILESCCCCCNC(=O)NS(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C14H21FN2O4S/c1-2-3-4-10-16-14(18)17-22(19,20)13-7-5-12(6-8-13)21-11-9-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17,18)
InChIKeyOYPDDNUPZRHLHX-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.21
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-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea?
The IUPAC name of 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea (CID 10382098) is 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea.
What is the SMILES notation for 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea?
The canonical SMILES for 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea is CCCCCNC(=O)NS(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea?
The InChIKey is OYPDDNUPZRHLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-2-3-4-10-16-14(18)17-22(19,20)13-7-5-12(6-8-13)21-11-9-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea?
1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea has a molecular weight of 332.40 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3-pentylurea is sourced from PubChem (CID 10382098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).