3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate

C17H18FNO5S — CID 4876006

IUPAC3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1cccc(C(=O)OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO5S/c1-25(21,22)19-15-5-2-4-13(12-15)17(20)24-11-3-10-23-16-8-6-14(18)7-9-16/h2,4-9,12,19H,3,10-11H2,1H3
InChIKeyUEYHGPNBMRSYDQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.82
Rot. Bonds8

About 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate

3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate (PubChem CID 4876006) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate
PubChem CID4876006
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1cccc(C(=O)OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO5S/c1-25(21,22)19-15-5-2-4-13(12-15)17(20)24-11-3-10-23-16-8-6-14(18)7-9-16/h2,4-9,12,19H,3,10-11H2,1H3
InChIKeyUEYHGPNBMRSYDQ-UHFFFAOYSA-N
XLogP2.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.82
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-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate (CID 4876006) is 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate is CS(=O)(=O)Nc1cccc(C(=O)OCCCOc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate?
The InChIKey is UEYHGPNBMRSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-25(21,22)19-15-5-2-4-13(12-15)17(20)24-11-3-10-23-16-8-6-14(18)7-9-16/h2,4-9,12,19H,3,10-11H2,1H3.
What are the key properties of 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate?
3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate has a molecular weight of 367.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 3-(methanesulfonamido)benzoate is sourced from PubChem (CID 4876006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).